 Entering Gaussian System, Link 0=/public3/home/sc70848/scripts/g16/g16
 Input=ch.gjf
 Output=ch.log
 Initial command:
 /public3/home/sc70848/scripts/g16/l1.exe "/public3/home/sc70848/scripts/tmp/Gau-44616.inp" -scrdir="/public3/home/sc70848/scripts/tmp/"
 Entering Link 1 = /public3/home/sc70848/scripts/g16/l1.exe PID=     44617.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
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 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                21-Jun-2022 
 ******************************************
 %nprocshared=64
 Will use up to   64 processors via shared memory.
 %mem=210GB
 %chk=ch.chk
 ---------------------------------------------
 # opt freq b3lyp/6-31g(d,p) geom=connectivity
 ---------------------------------------------
 1/18=20,19=15,26=3,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -------------------
 Title Card Required
 -------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -4.0336    2.7864   -0.2097 
 C                    -3.9108    1.4465   -0.3216 
 C                    -2.778     0.7081   -0.2851 
 C                    -1.616     1.3844   -0.1963 
 C                    -1.6785    2.7236   -0.0746 
 C                    -2.8397    3.3916   -0.0747 
 C                    -2.7507   -0.6454   -0.3905 
 C                    -1.5651   -1.291    -0.4495 
 C                    -0.3976   -0.6079   -0.3713 
 C                    -0.4335    0.7341   -0.2349 
 C                    -3.8724   -1.4017   -0.382 
 C                    -3.9753   -2.7424   -0.4939 
 C                    -2.767    -3.3222   -0.5981 
 C                    -1.6189   -2.6315   -0.5723 
 N                     0.7852   -1.179    -0.391 
 C                     1.8705   -0.4536   -0.3386 
 C                     1.7742    0.8743   -0.2128 
 N                     0.634     1.4174   -0.1739 
 C                     3.1039   -0.9785   -0.3924 
 C                     4.1908   -0.1932   -0.3304 
 C                     4.1483    1.1509   -0.2019 
 C                     2.8857    1.6307   -0.1494 
 N                    -5.1637    3.4087   -0.2518 
 N                    -5.0977   -3.3803   -0.4901 
 N                     5.1996    1.896    -0.1378 
 C                    -5.2808   -4.6125   -0.1509 
 C                    -6.5777   -4.9494   -0.2628 
 C                    -7.2082   -3.8513   -0.6764 
 C                    -6.257    -2.9119   -0.8156 
 C                    -5.3618    4.6372   -0.5963 
 C                    -6.6671    4.9514   -0.5234 
 C                    -7.2888    3.8427   -0.1262 
 C                    -6.3242    2.9219    0.0422 
 C                     5.288     3.0587    0.4169 
 C                     6.5319    3.5536    0.2944 
 C                     7.2317    2.6257   -0.356 
 C                     6.3702    1.6257   -0.6104 
 C                    -8.5108   -3.6654   -0.9284 
 C                    -8.9055   -2.4673   -1.3809 
 C                    -7.9836   -1.5189   -1.6009 
 C                    -6.6836   -1.7459   -1.3443 
 C                    -4.4879   -5.5698    0.3721 
 C                    -4.9568   -6.7974    0.6572 
 C                    -6.2479   -7.1053    0.4671 
 C                    -7.082    -6.1592    0.0147 
 C                    -8.5946    3.6338    0.0892 
 C                    -8.9801    2.4299    0.5341 
 C                    -8.0473    1.4997    0.7837 
 C                    -6.745     1.7503    0.5634 
 C                    -4.5714    5.6089   -1.0962 
 C                    -5.0536    6.8277   -1.3965 
 C                    -6.3551    7.1125   -1.2456 
 C                    -7.1849    6.1516   -0.817 
 C                     8.5212    2.6368   -0.7192 
 C                     8.9924    1.5933   -1.4155 
 C                     8.154     0.6017   -1.7498 
 C                     6.8641    0.6276   -1.3709 
 C                     4.4482    3.8081    1.16 
 C                     4.8139    5.0079    1.6445 
 C                     6.0484    5.4892    1.4383 
 C                     6.9338    4.7418    0.7652 
 H                    -4.8292    0.932    -0.6056 
 H                    -0.7738    3.3424    0.0535 
 H                    -2.7453    4.4676    0.1211 
 H                    -4.8071   -0.9023   -0.126 
 H                    -2.6501   -4.3964   -0.7935 
 H                    -0.7194   -3.2563   -0.6794 
 H                     0.9058   -2.1879   -0.546 
 H                     3.2376   -2.0725   -0.4597 
 H                     5.134    -0.7541   -0.2885 
 H                     2.6911    2.7117   -0.1474 
 H                    -9.2523   -4.4667   -0.785 
 H                    -9.9675   -2.2786   -1.6095 
 H                    -8.2992   -0.5518   -2.0297 
 H                    -6.0141   -0.9296   -1.6477 
 H                    -3.4384   -5.4099    0.6508 
 H                    -4.2821   -7.5584    1.0864 
 H                    -6.6269   -8.1095    0.7196 
 H                    -8.1528   -6.386    -0.1045 
 H                    -9.346     4.4211   -0.0772 
 H                    -10.0445   2.2223    0.7331 
 H                    -8.3571    0.5282    1.2069 
 H                    -6.07      0.9472    0.8895 
 H                    -3.5113    5.4682   -1.3432 
 H                    -4.3801    7.6005   -1.8061 
 H                    -6.7445    8.1095   -1.5104 
 H                    -8.2627    6.3591   -0.7295 
 H                     9.1885    3.4778   -0.4752 
 H                     10.0445   1.5715   -1.7449 
 H                     8.5275   -0.2283   -2.3745 
 H                     6.2536   -0.1903   -1.7757 
 H                     3.4462    3.4801    1.4672 
 H                     4.1037    5.5961    2.2513 
 H                     6.3446    6.4665    1.8541 
 H                     7.9638    5.1055    0.6275 
 Cl                    0.626    -1.7314    2.3745 
 
 Add virtual bond connecting atoms Cl96       and N15        Dist= 5.34D+00.
 Add virtual bond connecting atoms Cl96       and H68        Dist= 5.61D+00.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3502         estimate D2E/DX2                !
 ! R2    R(1,6)                  1.3453         estimate D2E/DX2                !
 ! R3    R(1,23)                 1.2908         estimate D2E/DX2                !
 ! R4    R(2,3)                  1.3527         estimate D2E/DX2                !
 ! R5    R(2,62)                 1.0903         estimate D2E/DX2                !
 ! R6    R(3,4)                  1.3474         estimate D2E/DX2                !
 ! R7    R(3,7)                  1.3579         estimate D2E/DX2                !
 ! R8    R(4,5)                  1.3462         estimate D2E/DX2                !
 ! R9    R(4,10)                 1.3501         estimate D2E/DX2                !
 ! R10   R(5,6)                  1.3396         estimate D2E/DX2                !
 ! R11   R(5,63)                 1.1035         estimate D2E/DX2                !
 ! R12   R(6,64)                 1.0977         estimate D2E/DX2                !
 ! R13   R(7,8)                  1.3513         estimate D2E/DX2                !
 ! R14   R(7,11)                 1.3529         estimate D2E/DX2                !
 ! R15   R(8,9)                  1.3549         estimate D2E/DX2                !
 ! R16   R(8,14)                 1.3472         estimate D2E/DX2                !
 ! R17   R(9,10)                 1.3494         estimate D2E/DX2                !
 ! R18   R(9,15)                 1.3136         estimate D2E/DX2                !
 ! R19   R(10,18)                1.2689         estimate D2E/DX2                !
 ! R20   R(11,12)                1.3493         estimate D2E/DX2                !
 ! R21   R(11,65)                1.0902         estimate D2E/DX2                !
 ! R22   R(12,13)                1.3443         estimate D2E/DX2                !
 ! R23   R(12,24)                1.291          estimate D2E/DX2                !
 ! R24   R(13,14)                1.3401         estimate D2E/DX2                !
 ! R25   R(13,66)                1.0981         estimate D2E/DX2                !
 ! R26   R(14,67)                1.1004         estimate D2E/DX2                !
 ! R27   R(15,16)                1.3065         estimate D2E/DX2                !
 ! R28   R(15,68)                1.0278         estimate D2E/DX2                !
 ! R29   R(15,96)                2.8246         estimate D2E/DX2                !
 ! R30   R(16,17)                1.3373         estimate D2E/DX2                !
 ! R31   R(16,19)                1.3415         estimate D2E/DX2                !
 ! R32   R(17,18)                1.2635         estimate D2E/DX2                !
 ! R33   R(17,22)                1.346          estimate D2E/DX2                !
 ! R34   R(19,20)                1.3423         estimate D2E/DX2                !
 ! R35   R(19,69)                1.1042         estimate D2E/DX2                !
 ! R36   R(20,21)                1.3509         estimate D2E/DX2                !
 ! R37   R(20,70)                1.0982         estimate D2E/DX2                !
 ! R38   R(21,22)                1.3517         estimate D2E/DX2                !
 ! R39   R(21,25)                1.2902         estimate D2E/DX2                !
 ! R40   R(22,71)                1.0984         estimate D2E/DX2                !
 ! R41   R(23,30)                1.2912         estimate D2E/DX2                !
 ! R42   R(23,33)                1.2924         estimate D2E/DX2                !
 ! R43   R(24,26)                1.2911         estimate D2E/DX2                !
 ! R44   R(24,29)                1.292          estimate D2E/DX2                !
 ! R45   R(25,34)                1.2913         estimate D2E/DX2                !
 ! R46   R(25,37)                1.291          estimate D2E/DX2                !
 ! R47   R(26,27)                1.3446         estimate D2E/DX2                !
 ! R48   R(26,42)                1.3486         estimate D2E/DX2                !
 ! R49   R(27,28)                1.3321         estimate D2E/DX2                !
 ! R50   R(27,45)                1.3398         estimate D2E/DX2                !
 ! R51   R(28,29)                1.3441         estimate D2E/DX2                !
 ! R52   R(28,38)                1.3397         estimate D2E/DX2                !
 ! R53   R(29,41)                1.3495         estimate D2E/DX2                !
 ! R54   R(30,31)                1.3446         estimate D2E/DX2                !
 ! R55   R(30,50)                1.3486         estimate D2E/DX2                !
 ! R56   R(31,32)                1.3317         estimate D2E/DX2                !
 ! R57   R(31,53)                1.3397         estimate D2E/DX2                !
 ! R58   R(32,33)                1.3441         estimate D2E/DX2                !
 ! R59   R(32,46)                1.3398         estimate D2E/DX2                !
 ! R60   R(33,49)                1.3496         estimate D2E/DX2                !
 ! R61   R(34,35)                1.3443         estimate D2E/DX2                !
 ! R62   R(34,58)                1.3487         estimate D2E/DX2                !
 ! R63   R(35,36)                1.3318         estimate D2E/DX2                !
 ! R64   R(35,61)                1.3398         estimate D2E/DX2                !
 ! R65   R(36,37)                1.3442         estimate D2E/DX2                !
 ! R66   R(36,54)                1.3397         estimate D2E/DX2                !
 ! R67   R(37,57)                1.3485         estimate D2E/DX2                !
 ! R68   R(38,39)                1.3401         estimate D2E/DX2                !
 ! R69   R(38,72)                1.1011         estimate D2E/DX2                !
 ! R70   R(39,40)                1.3408         estimate D2E/DX2                !
 ! R71   R(39,73)                1.1026         estimate D2E/DX2                !
 ! R72   R(40,41)                1.3444         estimate D2E/DX2                !
 ! R73   R(40,74)                1.104          estimate D2E/DX2                !
 ! R74   R(41,75)                1.0985         estimate D2E/DX2                !
 ! R75   R(42,43)                1.3447         estimate D2E/DX2                !
 ! R76   R(42,76)                1.0976         estimate D2E/DX2                !
 ! R77   R(43,44)                1.3409         estimate D2E/DX2                !
 ! R78   R(43,77)                1.1039         estimate D2E/DX2                !
 ! R79   R(44,45)                1.34           estimate D2E/DX2                !
 ! R80   R(44,78)                1.1026         estimate D2E/DX2                !
 ! R81   R(45,79)                1.101          estimate D2E/DX2                !
 ! R82   R(46,47)                1.3401         estimate D2E/DX2                !
 ! R83   R(46,80)                1.101          estimate D2E/DX2                !
 ! R84   R(47,48)                1.3408         estimate D2E/DX2                !
 ! R85   R(47,81)                1.1026         estimate D2E/DX2                !
 ! R86   R(48,49)                1.3444         estimate D2E/DX2                !
 ! R87   R(48,82)                1.104          estimate D2E/DX2                !
 ! R88   R(49,83)                1.0986         estimate D2E/DX2                !
 ! R89   R(50,51)                1.3447         estimate D2E/DX2                !
 ! R90   R(50,84)                1.0976         estimate D2E/DX2                !
 ! R91   R(51,52)                1.3408         estimate D2E/DX2                !
 ! R92   R(51,85)                1.1039         estimate D2E/DX2                !
 ! R93   R(52,53)                1.34           estimate D2E/DX2                !
 ! R94   R(52,86)                1.1026         estimate D2E/DX2                !
 ! R95   R(53,87)                1.1011         estimate D2E/DX2                !
 ! R96   R(54,55)                1.3401         estimate D2E/DX2                !
 ! R97   R(54,88)                1.101          estimate D2E/DX2                !
 ! R98   R(55,56)                1.3409         estimate D2E/DX2                !
 ! R99   R(55,89)                1.1027         estimate D2E/DX2                !
 ! R100  R(56,57)                1.3446         estimate D2E/DX2                !
 ! R101  R(56,90)                1.1039         estimate D2E/DX2                !
 ! R102  R(57,91)                1.098          estimate D2E/DX2                !
 ! R103  R(58,59)                1.3446         estimate D2E/DX2                !
 ! R104  R(58,92)                1.0982         estimate D2E/DX2                !
 ! R105  R(59,60)                1.341          estimate D2E/DX2                !
 ! R106  R(59,93)                1.1039         estimate D2E/DX2                !
 ! R107  R(60,61)                1.34           estimate D2E/DX2                !
 ! R108  R(60,94)                1.1026         estimate D2E/DX2                !
 ! R109  R(61,95)                1.101          estimate D2E/DX2                !
 ! R110  R(68,96)                2.9692         estimate D2E/DX2                !
 ! A1    A(2,1,6)              111.9649         estimate D2E/DX2                !
 ! A2    A(2,1,23)             123.736          estimate D2E/DX2                !
 ! A3    A(6,1,23)             124.2884         estimate D2E/DX2                !
 ! A4    A(1,2,3)              127.9993         estimate D2E/DX2                !
 ! A5    A(1,2,62)             114.4102         estimate D2E/DX2                !
 ! A6    A(3,2,62)             117.0538         estimate D2E/DX2                !
 ! A7    A(2,3,4)              116.7432         estimate D2E/DX2                !
 ! A8    A(2,3,7)              123.9766         estimate D2E/DX2                !
 ! A9    A(4,3,7)              119.2149         estimate D2E/DX2                !
 ! A10   A(3,4,5)              117.7262         estimate D2E/DX2                !
 ! A11   A(3,4,10)             120.7774         estimate D2E/DX2                !
 ! A12   A(5,4,10)             121.4957         estimate D2E/DX2                !
 ! A13   A(4,5,6)              122.4322         estimate D2E/DX2                !
 ! A14   A(4,5,63)             122.0236         estimate D2E/DX2                !
 ! A15   A(6,5,63)             115.5322         estimate D2E/DX2                !
 ! A16   A(1,6,5)              123.0201         estimate D2E/DX2                !
 ! A17   A(1,6,64)             122.3549         estimate D2E/DX2                !
 ! A18   A(5,6,64)             114.47           estimate D2E/DX2                !
 ! A19   A(3,7,8)              119.8192         estimate D2E/DX2                !
 ! A20   A(3,7,11)             122.6887         estimate D2E/DX2                !
 ! A21   A(8,7,11)             117.4293         estimate D2E/DX2                !
 ! A22   A(7,8,9)              120.8397         estimate D2E/DX2                !
 ! A23   A(7,8,14)             116.3813         estimate D2E/DX2                !
 ! A24   A(9,8,14)             122.7745         estimate D2E/DX2                !
 ! A25   A(8,9,10)             118.9674         estimate D2E/DX2                !
 ! A26   A(8,9,15)             123.7671         estimate D2E/DX2                !
 ! A27   A(10,9,15)            117.2483         estimate D2E/DX2                !
 ! A28   A(4,10,9)             120.3468         estimate D2E/DX2                !
 ! A29   A(4,10,18)            118.4306         estimate D2E/DX2                !
 ! A30   A(9,10,18)            121.1992         estimate D2E/DX2                !
 ! A31   A(7,11,12)            128.1835         estimate D2E/DX2                !
 ! A32   A(7,11,65)            117.1449         estimate D2E/DX2                !
 ! A33   A(12,11,65)           114.1573         estimate D2E/DX2                !
 ! A34   A(11,12,13)           111.4969         estimate D2E/DX2                !
 ! A35   A(11,12,24)           123.85           estimate D2E/DX2                !
 ! A36   A(13,12,24)           124.6512         estimate D2E/DX2                !
 ! A37   A(12,13,14)           123.1124         estimate D2E/DX2                !
 ! A38   A(12,13,66)           122.1021         estimate D2E/DX2                !
 ! A39   A(14,13,66)           114.6091         estimate D2E/DX2                !
 ! A40   A(8,14,13)            123.2861         estimate D2E/DX2                !
 ! A41   A(8,14,67)            122.7645         estimate D2E/DX2                !
 ! A42   A(13,14,67)           113.9403         estimate D2E/DX2                !
 ! A43   A(9,15,16)            120.3979         estimate D2E/DX2                !
 ! A44   A(9,15,68)            122.3208         estimate D2E/DX2                !
 ! A45   A(9,15,96)             91.1226         estimate D2E/DX2                !
 ! A46   A(16,15,68)           116.9742         estimate D2E/DX2                !
 ! A47   A(16,15,96)            96.6693         estimate D2E/DX2                !
 ! A48   A(15,16,17)           119.6886         estimate D2E/DX2                !
 ! A49   A(15,16,19)           123.0183         estimate D2E/DX2                !
 ! A50   A(17,16,19)           117.29           estimate D2E/DX2                !
 ! A51   A(16,17,18)           119.6483         estimate D2E/DX2                !
 ! A52   A(16,17,22)           120.1979         estimate D2E/DX2                !
 ! A53   A(18,17,22)           120.1453         estimate D2E/DX2                !
 ! A54   A(10,18,17)           121.7497         estimate D2E/DX2                !
 ! A55   A(16,19,20)           120.9097         estimate D2E/DX2                !
 ! A56   A(16,19,69)           120.0945         estimate D2E/DX2                !
 ! A57   A(20,19,69)           118.9728         estimate D2E/DX2                !
 ! A58   A(19,20,21)           124.1248         estimate D2E/DX2                !
 ! A59   A(19,20,70)           113.4779         estimate D2E/DX2                !
 ! A60   A(21,20,70)           122.1121         estimate D2E/DX2                !
 ! A61   A(20,21,22)           112.7215         estimate D2E/DX2                !
 ! A62   A(20,21,25)           123.6218         estimate D2E/DX2                !
 ! A63   A(22,21,25)           123.6566         estimate D2E/DX2                !
 ! A64   A(17,22,21)           124.7543         estimate D2E/DX2                !
 ! A65   A(17,22,71)           114.0081         estimate D2E/DX2                !
 ! A66   A(21,22,71)           120.991          estimate D2E/DX2                !
 ! A67   A(1,23,30)            126.9939         estimate D2E/DX2                !
 ! A68   A(1,23,33)            126.6671         estimate D2E/DX2                !
 ! A69   A(30,23,33)           106.3389         estimate D2E/DX2                !
 ! A70   A(12,24,26)           126.5585         estimate D2E/DX2                !
 ! A71   A(12,24,29)           126.8853         estimate D2E/DX2                !
 ! A72   A(26,24,29)           106.555          estimate D2E/DX2                !
 ! A73   A(21,25,34)           126.666          estimate D2E/DX2                !
 ! A74   A(21,25,37)           126.8522         estimate D2E/DX2                !
 ! A75   A(34,25,37)           106.4814         estimate D2E/DX2                !
 ! A76   A(24,26,27)           110.7353         estimate D2E/DX2                !
 ! A77   A(24,26,42)           134.1064         estimate D2E/DX2                !
 ! A78   A(27,26,42)           114.9299         estimate D2E/DX2                !
 ! A79   A(26,27,28)           106.0109         estimate D2E/DX2                !
 ! A80   A(26,27,45)           124.8948         estimate D2E/DX2                !
 ! A81   A(28,27,45)           129.09           estimate D2E/DX2                !
 ! A82   A(27,28,29)           105.8629         estimate D2E/DX2                !
 ! A83   A(27,28,38)           129.272          estimate D2E/DX2                !
 ! A84   A(29,28,38)           124.863          estimate D2E/DX2                !
 ! A85   A(24,29,28)           110.8252         estimate D2E/DX2                !
 ! A86   A(24,29,41)           134.0747         estimate D2E/DX2                !
 ! A87   A(28,29,41)           114.8813         estimate D2E/DX2                !
 ! A88   A(23,30,31)           110.905          estimate D2E/DX2                !
 ! A89   A(23,30,50)           133.9881         estimate D2E/DX2                !
 ! A90   A(31,30,50)           114.8779         estimate D2E/DX2                !
 ! A91   A(30,31,32)           105.9519         estimate D2E/DX2                !
 ! A92   A(30,31,53)           124.9377         estimate D2E/DX2                !
 ! A93   A(32,31,53)           129.1069         estimate D2E/DX2                !
 ! A94   A(31,32,33)           105.8234         estimate D2E/DX2                !
 ! A95   A(31,32,46)           129.2521         estimate D2E/DX2                !
 ! A96   A(33,32,46)           124.9219         estimate D2E/DX2                !
 ! A97   A(23,33,32)           110.9699         estimate D2E/DX2                !
 ! A98   A(23,33,49)           134.0151         estimate D2E/DX2                !
 ! A99   A(32,33,49)           114.7925         estimate D2E/DX2                !
 ! A100  A(25,34,35)           110.8354         estimate D2E/DX2                !
 ! A101  A(25,34,58)           133.9767         estimate D2E/DX2                !
 ! A102  A(35,34,58)           114.9483         estimate D2E/DX2                !
 ! A103  A(34,35,36)           105.9147         estimate D2E/DX2                !
 ! A104  A(34,35,61)           124.8923         estimate D2E/DX2                !
 ! A105  A(36,35,61)           129.1891         estimate D2E/DX2                !
 ! A106  A(35,36,37)           105.901          estimate D2E/DX2                !
 ! A107  A(35,36,54)           129.2254         estimate D2E/DX2                !
 ! A108  A(37,36,54)           124.8709         estimate D2E/DX2                !
 ! A109  A(25,37,36)           110.8598         estimate D2E/DX2                !
 ! A110  A(25,37,57)           133.908          estimate D2E/DX2                !
 ! A111  A(36,37,57)           115.0            estimate D2E/DX2                !
 ! A112  A(28,38,39)           118.2895         estimate D2E/DX2                !
 ! A113  A(28,38,72)           121.9565         estimate D2E/DX2                !
 ! A114  A(39,38,72)           119.7504         estimate D2E/DX2                !
 ! A115  A(38,39,40)           119.0296         estimate D2E/DX2                !
 ! A116  A(38,39,73)           120.4433         estimate D2E/DX2                !
 ! A117  A(40,39,73)           120.4765         estimate D2E/DX2                !
 ! A118  A(39,40,41)           120.9386         estimate D2E/DX2                !
 ! A119  A(39,40,74)           119.1311         estimate D2E/DX2                !
 ! A120  A(41,40,74)           119.9002         estimate D2E/DX2                !
 ! A121  A(29,41,40)           121.7599         estimate D2E/DX2                !
 ! A122  A(29,41,75)           123.8922         estimate D2E/DX2                !
 ! A123  A(40,41,75)           114.2782         estimate D2E/DX2                !
 ! A124  A(26,42,43)           121.6856         estimate D2E/DX2                !
 ! A125  A(26,42,76)           123.8664         estimate D2E/DX2                !
 ! A126  A(43,42,76)           114.3679         estimate D2E/DX2                !
 ! A127  A(42,43,44)           121.0207         estimate D2E/DX2                !
 ! A128  A(42,43,77)           119.9118         estimate D2E/DX2                !
 ! A129  A(44,43,77)           119.0353         estimate D2E/DX2                !
 ! A130  A(43,44,45)           119.0202         estimate D2E/DX2                !
 ! A131  A(43,44,78)           120.5062         estimate D2E/DX2                !
 ! A132  A(45,44,78)           120.4233         estimate D2E/DX2                !
 ! A133  A(27,45,44)           118.2422         estimate D2E/DX2                !
 ! A134  A(27,45,79)           121.9827         estimate D2E/DX2                !
 ! A135  A(44,45,79)           119.7688         estimate D2E/DX2                !
 ! A136  A(32,46,47)           118.2808         estimate D2E/DX2                !
 ! A137  A(32,46,80)           121.9623         estimate D2E/DX2                !
 ! A138  A(47,46,80)           119.7529         estimate D2E/DX2                !
 ! A139  A(46,47,48)           119.0077         estimate D2E/DX2                !
 ! A140  A(46,47,81)           120.4491         estimate D2E/DX2                !
 ! A141  A(48,47,81)           120.4911         estimate D2E/DX2                !
 ! A142  A(47,48,49)           120.9383         estimate D2E/DX2                !
 ! A143  A(47,48,82)           119.1192         estimate D2E/DX2                !
 ! A144  A(49,48,82)           119.9122         estimate D2E/DX2                !
 ! A145  A(33,49,48)           121.8134         estimate D2E/DX2                !
 ! A146  A(33,49,83)           123.8949         estimate D2E/DX2                !
 ! A147  A(48,49,83)           114.2225         estimate D2E/DX2                !
 ! A148  A(30,50,51)           121.7133         estimate D2E/DX2                !
 ! A149  A(30,50,84)           123.8573         estimate D2E/DX2                !
 ! A150  A(51,50,84)           114.3492         estimate D2E/DX2                !
 ! A151  A(50,51,52)           121.0291         estimate D2E/DX2                !
 ! A152  A(50,51,85)           119.9079         estimate D2E/DX2                !
 ! A153  A(52,51,85)           119.0308         estimate D2E/DX2                !
 ! A154  A(51,52,53)           118.998          estimate D2E/DX2                !
 ! A155  A(51,52,86)           120.52           estimate D2E/DX2                !
 ! A156  A(53,52,86)           120.4324         estimate D2E/DX2                !
 ! A157  A(31,53,52)           118.2405         estimate D2E/DX2                !
 ! A158  A(31,53,87)           121.9884         estimate D2E/DX2                !
 ! A159  A(52,53,87)           119.7651         estimate D2E/DX2                !
 ! A160  A(36,54,55)           118.2201         estimate D2E/DX2                !
 ! A161  A(36,54,88)           121.9808         estimate D2E/DX2                !
 ! A162  A(55,54,88)           119.7929         estimate D2E/DX2                !
 ! A163  A(54,55,56)           119.0483         estimate D2E/DX2                !
 ! A164  A(54,55,89)           120.4053         estimate D2E/DX2                !
 ! A165  A(56,55,89)           120.4966         estimate D2E/DX2                !
 ! A166  A(55,56,57)           121.0181         estimate D2E/DX2                !
 ! A167  A(55,56,90)           119.0485         estimate D2E/DX2                !
 ! A168  A(57,56,90)           119.901          estimate D2E/DX2                !
 ! A169  A(37,57,56)           121.6353         estimate D2E/DX2                !
 ! A170  A(37,57,91)           123.7536         estimate D2E/DX2                !
 ! A171  A(56,57,91)           114.5289         estimate D2E/DX2                !
 ! A172  A(34,58,59)           121.6663         estimate D2E/DX2                !
 ! A173  A(34,58,92)           123.8008         estimate D2E/DX2                !
 ! A174  A(59,58,92)           114.4483         estimate D2E/DX2                !
 ! A175  A(58,59,60)           121.0136         estimate D2E/DX2                !
 ! A176  A(58,59,93)           119.9039         estimate D2E/DX2                !
 ! A177  A(60,59,93)           119.0495         estimate D2E/DX2                !
 ! A178  A(59,60,61)           119.0347         estimate D2E/DX2                !
 ! A179  A(59,60,94)           120.4945         estimate D2E/DX2                !
 ! A180  A(61,60,94)           120.4176         estimate D2E/DX2                !
 ! A181  A(35,61,60)           118.2269         estimate D2E/DX2                !
 ! A182  A(35,61,95)           121.9824         estimate D2E/DX2                !
 ! A183  A(60,61,95)           119.7835         estimate D2E/DX2                !
 ! D1    D(6,1,2,3)              1.3977         estimate D2E/DX2                !
 ! D2    D(6,1,2,62)          -169.868          estimate D2E/DX2                !
 ! D3    D(23,1,2,3)          -179.7445         estimate D2E/DX2                !
 ! D4    D(23,1,2,62)            8.9899         estimate D2E/DX2                !
 ! D5    D(2,1,6,5)              0.9364         estimate D2E/DX2                !
 ! D6    D(2,1,6,64)          -174.2869         estimate D2E/DX2                !
 ! D7    D(23,1,6,5)          -177.914          estimate D2E/DX2                !
 ! D8    D(23,1,6,64)            6.8627         estimate D2E/DX2                !
 ! D9    D(2,1,23,30)         -154.9828         estimate D2E/DX2                !
 ! D10   D(2,1,23,33)           24.9215         estimate D2E/DX2                !
 ! D11   D(6,1,23,30)           23.7352         estimate D2E/DX2                !
 ! D12   D(6,1,23,33)         -156.3606         estimate D2E/DX2                !
 ! D13   D(1,2,3,4)             -3.8032         estimate D2E/DX2                !
 ! D14   D(1,2,3,7)            179.1648         estimate D2E/DX2                !
 ! D15   D(62,2,3,4)           167.2644         estimate D2E/DX2                !
 ! D16   D(62,2,3,7)            -9.7676         estimate D2E/DX2                !
 ! D17   D(2,3,4,5)              3.7065         estimate D2E/DX2                !
 ! D18   D(2,3,4,10)          -176.0035         estimate D2E/DX2                !
 ! D19   D(7,3,4,5)           -179.1134         estimate D2E/DX2                !
 ! D20   D(7,3,4,10)             1.1766         estimate D2E/DX2                !
 ! D21   D(2,3,7,8)            174.7824         estimate D2E/DX2                !
 ! D22   D(2,3,7,11)            -8.1755         estimate D2E/DX2                !
 ! D23   D(4,3,7,8)             -2.1806         estimate D2E/DX2                !
 ! D24   D(4,3,7,11)           174.8614         estimate D2E/DX2                !
 ! D25   D(3,4,5,6)             -1.7619         estimate D2E/DX2                !
 ! D26   D(3,4,5,63)           176.9209         estimate D2E/DX2                !
 ! D27   D(10,4,5,6)           177.946          estimate D2E/DX2                !
 ! D28   D(10,4,5,63)           -3.3712         estimate D2E/DX2                !
 ! D29   D(3,4,10,9)             0.3834         estimate D2E/DX2                !
 ! D30   D(3,4,10,18)          178.6431         estimate D2E/DX2                !
 ! D31   D(5,4,10,9)          -179.3156         estimate D2E/DX2                !
 ! D32   D(5,4,10,18)           -1.0559         estimate D2E/DX2                !
 ! D33   D(4,5,6,1)             -0.7192         estimate D2E/DX2                !
 ! D34   D(4,5,6,64)           174.8482         estimate D2E/DX2                !
 ! D35   D(63,5,6,1)          -179.4816         estimate D2E/DX2                !
 ! D36   D(63,5,6,64)           -3.9142         estimate D2E/DX2                !
 ! D37   D(3,7,8,9)              1.6597         estimate D2E/DX2                !
 ! D38   D(3,7,8,14)          -179.1            estimate D2E/DX2                !
 ! D39   D(11,7,8,9)          -175.5357         estimate D2E/DX2                !
 ! D40   D(11,7,8,14)            3.7046         estimate D2E/DX2                !
 ! D41   D(3,7,11,12)          179.1827         estimate D2E/DX2                !
 ! D42   D(3,7,11,65)           -9.5853         estimate D2E/DX2                !
 ! D43   D(8,7,11,12)           -3.7086         estimate D2E/DX2                !
 ! D44   D(8,7,11,65)          167.5234         estimate D2E/DX2                !
 ! D45   D(7,8,9,10)            -0.0994         estimate D2E/DX2                !
 ! D46   D(7,8,9,15)           178.3496         estimate D2E/DX2                !
 ! D47   D(14,8,9,10)         -179.2899         estimate D2E/DX2                !
 ! D48   D(14,8,9,15)           -0.8409         estimate D2E/DX2                !
 ! D49   D(7,8,14,13)           -1.9157         estimate D2E/DX2                !
 ! D50   D(7,8,14,67)          176.9173         estimate D2E/DX2                !
 ! D51   D(9,8,14,13)          177.3086         estimate D2E/DX2                !
 ! D52   D(9,8,14,67)           -3.8585         estimate D2E/DX2                !
 ! D53   D(8,9,10,4)            -0.9236         estimate D2E/DX2                !
 ! D54   D(8,9,10,18)         -179.1345         estimate D2E/DX2                !
 ! D55   D(15,9,10,4)         -179.4734         estimate D2E/DX2                !
 ! D56   D(15,9,10,18)           2.3158         estimate D2E/DX2                !
 ! D57   D(8,9,15,16)          178.6126         estimate D2E/DX2                !
 ! D58   D(8,9,15,68)            5.1708         estimate D2E/DX2                !
 ! D59   D(8,9,15,96)          -82.9824         estimate D2E/DX2                !
 ! D60   D(10,9,15,16)          -2.9138         estimate D2E/DX2                !
 ! D61   D(10,9,15,68)        -176.3556         estimate D2E/DX2                !
 ! D62   D(10,9,15,96)          95.4913         estimate D2E/DX2                !
 ! D63   D(4,10,18,17)        -179.5739         estimate D2E/DX2                !
 ! D64   D(9,10,18,17)          -1.3296         estimate D2E/DX2                !
 ! D65   D(7,11,12,13)           1.3001         estimate D2E/DX2                !
 ! D66   D(7,11,12,24)        -179.1905         estimate D2E/DX2                !
 ! D67   D(65,11,12,13)       -170.1505         estimate D2E/DX2                !
 ! D68   D(65,11,12,24)          9.359          estimate D2E/DX2                !
 ! D69   D(11,12,13,14)          0.8603         estimate D2E/DX2                !
 ! D70   D(11,12,13,66)       -174.0511         estimate D2E/DX2                !
 ! D71   D(24,12,13,14)       -178.6444         estimate D2E/DX2                !
 ! D72   D(24,12,13,66)          6.4442         estimate D2E/DX2                !
 ! D73   D(11,12,24,26)       -155.196          estimate D2E/DX2                !
 ! D74   D(11,12,24,29)         24.3376         estimate D2E/DX2                !
 ! D75   D(13,12,24,26)         24.2492         estimate D2E/DX2                !
 ! D76   D(13,12,24,29)       -156.2173         estimate D2E/DX2                !
 ! D77   D(12,13,14,8)          -0.501          estimate D2E/DX2                !
 ! D78   D(12,13,14,67)       -179.4273         estimate D2E/DX2                !
 ! D79   D(66,13,14,8)         174.7586         estimate D2E/DX2                !
 ! D80   D(66,13,14,67)         -4.1676         estimate D2E/DX2                !
 ! D81   D(9,15,16,17)           2.557          estimate D2E/DX2                !
 ! D82   D(9,15,16,19)        -178.1059         estimate D2E/DX2                !
 ! D83   D(68,15,16,17)        176.3398         estimate D2E/DX2                !
 ! D84   D(68,15,16,19)         -4.3231         estimate D2E/DX2                !
 ! D85   D(96,15,16,17)        -92.6909         estimate D2E/DX2                !
 ! D86   D(96,15,16,19)         86.6462         estimate D2E/DX2                !
 ! D87   D(15,16,17,18)         -1.4723         estimate D2E/DX2                !
 ! D88   D(15,16,17,22)        179.5846         estimate D2E/DX2                !
 ! D89   D(19,16,17,18)        179.1532         estimate D2E/DX2                !
 ! D90   D(19,16,17,22)          0.2101         estimate D2E/DX2                !
 ! D91   D(15,16,19,20)       -179.7729         estimate D2E/DX2                !
 ! D92   D(15,16,19,69)         -1.5334         estimate D2E/DX2                !
 ! D93   D(17,16,19,20)         -0.4209         estimate D2E/DX2                !
 ! D94   D(17,16,19,69)        177.8186         estimate D2E/DX2                !
 ! D95   D(16,17,18,10)          0.8705         estimate D2E/DX2                !
 ! D96   D(22,17,18,10)        179.8142         estimate D2E/DX2                !
 ! D97   D(16,17,22,21)         -0.0846         estimate D2E/DX2                !
 ! D98   D(16,17,22,71)        174.2351         estimate D2E/DX2                !
 ! D99   D(18,17,22,21)       -179.0224         estimate D2E/DX2                !
 ! D100  D(18,17,22,71)         -4.7027         estimate D2E/DX2                !
 ! D101  D(16,19,20,21)          0.53           estimate D2E/DX2                !
 ! D102  D(16,19,20,70)        174.4936         estimate D2E/DX2                !
 ! D103  D(69,19,20,21)       -177.729          estimate D2E/DX2                !
 ! D104  D(69,19,20,70)         -3.7653         estimate D2E/DX2                !
 ! D105  D(19,20,21,22)         -0.3679         estimate D2E/DX2                !
 ! D106  D(19,20,21,25)        179.7075         estimate D2E/DX2                !
 ! D107  D(70,20,21,22)       -173.8292         estimate D2E/DX2                !
 ! D108  D(70,20,21,25)          6.2463         estimate D2E/DX2                !
 ! D109  D(20,21,22,17)          0.1485         estimate D2E/DX2                !
 ! D110  D(20,21,22,71)       -173.7972         estimate D2E/DX2                !
 ! D111  D(25,21,22,17)       -179.927          estimate D2E/DX2                !
 ! D112  D(25,21,22,71)          6.1273         estimate D2E/DX2                !
 ! D113  D(20,21,25,34)       -154.7176         estimate D2E/DX2                !
 ! D114  D(20,21,25,37)         25.0285         estimate D2E/DX2                !
 ! D115  D(22,21,25,34)         25.366          estimate D2E/DX2                !
 ! D116  D(22,21,25,37)       -154.8878         estimate D2E/DX2                !
 ! D117  D(1,23,30,31)         179.9864         estimate D2E/DX2                !
 ! D118  D(1,23,30,50)           5.9384         estimate D2E/DX2                !
 ! D119  D(33,23,30,31)          0.0664         estimate D2E/DX2                !
 ! D120  D(33,23,30,50)       -173.9816         estimate D2E/DX2                !
 ! D121  D(1,23,33,32)        -179.3161         estimate D2E/DX2                !
 ! D122  D(1,23,33,49)           6.5554         estimate D2E/DX2                !
 ! D123  D(30,23,33,32)          0.6042         estimate D2E/DX2                !
 ! D124  D(30,23,33,49)       -173.5243         estimate D2E/DX2                !
 ! D125  D(12,24,26,27)        179.8358         estimate D2E/DX2                !
 ! D126  D(12,24,26,42)          5.7809         estimate D2E/DX2                !
 ! D127  D(29,24,26,27)          0.225          estimate D2E/DX2                !
 ! D128  D(29,24,26,42)       -173.8299         estimate D2E/DX2                !
 ! D129  D(12,24,29,28)       -179.1593         estimate D2E/DX2                !
 ! D130  D(12,24,29,41)          6.6592         estimate D2E/DX2                !
 ! D131  D(26,24,29,28)          0.4499         estimate D2E/DX2                !
 ! D132  D(26,24,29,41)       -173.7316         estimate D2E/DX2                !
 ! D133  D(21,25,34,35)       -179.7931         estimate D2E/DX2                !
 ! D134  D(21,25,34,58)          6.2902         estimate D2E/DX2                !
 ! D135  D(37,25,34,35)          0.4187         estimate D2E/DX2                !
 ! D136  D(37,25,34,58)       -173.4979         estimate D2E/DX2                !
 ! D137  D(21,25,37,36)       -179.6324         estimate D2E/DX2                !
 ! D138  D(21,25,37,57)          6.3525         estimate D2E/DX2                !
 ! D139  D(34,25,37,36)          0.1552         estimate D2E/DX2                !
 ! D140  D(34,25,37,57)       -173.8598         estimate D2E/DX2                !
 ! D141  D(24,26,27,28)         -0.8024         estimate D2E/DX2                !
 ! D142  D(24,26,27,45)        179.888          estimate D2E/DX2                !
 ! D143  D(42,26,27,28)        174.4932         estimate D2E/DX2                !
 ! D144  D(42,26,27,45)         -4.8163         estimate D2E/DX2                !
 ! D145  D(24,26,42,43)        178.7697         estimate D2E/DX2                !
 ! D146  D(24,26,42,76)          2.2086         estimate D2E/DX2                !
 ! D147  D(27,26,42,43)          4.9017         estimate D2E/DX2                !
 ! D148  D(27,26,42,76)       -171.6593         estimate D2E/DX2                !
 ! D149  D(26,27,28,29)          1.0197         estimate D2E/DX2                !
 ! D150  D(26,27,28,38)       -179.4943         estimate D2E/DX2                !
 ! D151  D(45,27,28,29)       -179.7099         estimate D2E/DX2                !
 ! D152  D(45,27,28,38)         -0.224          estimate D2E/DX2                !
 ! D153  D(26,27,45,44)          1.5826         estimate D2E/DX2                !
 ! D154  D(26,27,45,79)       -179.3305         estimate D2E/DX2                !
 ! D155  D(28,27,45,44)       -177.5623         estimate D2E/DX2                !
 ! D156  D(28,27,45,79)          1.5246         estimate D2E/DX2                !
 ! D157  D(27,28,29,24)         -0.9414         estimate D2E/DX2                !
 ! D158  D(27,28,29,41)        174.4537         estimate D2E/DX2                !
 ! D159  D(38,28,29,24)        179.5436         estimate D2E/DX2                !
 ! D160  D(38,28,29,41)         -5.0613         estimate D2E/DX2                !
 ! D161  D(27,28,38,39)       -177.8833         estimate D2E/DX2                !
 ! D162  D(27,28,38,72)          1.4249         estimate D2E/DX2                !
 ! D163  D(29,28,38,39)          1.514          estimate D2E/DX2                !
 ! D164  D(29,28,38,72)       -179.1777         estimate D2E/DX2                !
 ! D165  D(24,29,41,40)        179.3392         estimate D2E/DX2                !
 ! D166  D(24,29,41,75)          2.55           estimate D2E/DX2                !
 ! D167  D(28,29,41,40)          5.3346         estimate D2E/DX2                !
 ! D168  D(28,29,41,75)       -171.4546         estimate D2E/DX2                !
 ! D169  D(23,30,31,32)         -0.6988         estimate D2E/DX2                !
 ! D170  D(23,30,31,53)        179.933          estimate D2E/DX2                !
 ! D171  D(50,30,31,32)        174.5839         estimate D2E/DX2                !
 ! D172  D(50,30,31,53)         -4.7842         estimate D2E/DX2                !
 ! D173  D(23,30,50,51)        178.7387         estimate D2E/DX2                !
 ! D174  D(23,30,50,84)          2.1813         estimate D2E/DX2                !
 ! D175  D(31,30,50,51)          4.8683         estimate D2E/DX2                !
 ! D176  D(31,30,50,84)       -171.6891         estimate D2E/DX2                !
 ! D177  D(30,31,32,33)          1.0108         estimate D2E/DX2                !
 ! D178  D(30,31,32,46)       -179.5655         estimate D2E/DX2                !
 ! D179  D(53,31,32,33)       -179.6567         estimate D2E/DX2                !
 ! D180  D(53,31,32,46)         -0.2331         estimate D2E/DX2                !
 ! D181  D(30,31,53,52)          1.5795         estimate D2E/DX2                !
 ! D182  D(30,31,53,87)       -179.3157         estimate D2E/DX2                !
 ! D183  D(32,31,53,52)       -177.6376         estimate D2E/DX2                !
 ! D184  D(32,31,53,87)          1.4672         estimate D2E/DX2                !
 ! D185  D(31,32,33,23)         -1.0332         estimate D2E/DX2                !
 ! D186  D(31,32,33,49)        174.3187         estimate D2E/DX2                !
 ! D187  D(46,32,33,23)        179.5112         estimate D2E/DX2                !
 ! D188  D(46,32,33,49)         -5.137          estimate D2E/DX2                !
 ! D189  D(31,32,46,47)       -177.7843         estimate D2E/DX2                !
 ! D190  D(31,32,46,80)          1.4864         estimate D2E/DX2                !
 ! D191  D(33,32,46,47)          1.5394         estimate D2E/DX2                !
 ! D192  D(33,32,46,80)       -179.1899         estimate D2E/DX2                !
 ! D193  D(23,33,49,48)        179.3734         estimate D2E/DX2                !
 ! D194  D(23,33,49,83)          2.5766         estimate D2E/DX2                !
 ! D195  D(32,33,49,48)          5.4132         estimate D2E/DX2                !
 ! D196  D(32,33,49,83)       -171.3835         estimate D2E/DX2                !
 ! D197  D(25,34,35,36)         -0.8236         estimate D2E/DX2                !
 ! D198  D(25,34,35,61)        179.8448         estimate D2E/DX2                !
 ! D199  D(58,34,35,36)        174.3516         estimate D2E/DX2                !
 ! D200  D(58,34,35,61)         -4.9801         estimate D2E/DX2                !
 ! D201  D(25,34,58,59)        178.7455         estimate D2E/DX2                !
 ! D202  D(25,34,58,92)          2.2774         estimate D2E/DX2                !
 ! D203  D(35,34,58,59)          5.0169         estimate D2E/DX2                !
 ! D204  D(35,34,58,92)       -171.4512         estimate D2E/DX2                !
 ! D205  D(34,35,36,37)          0.8664         estimate D2E/DX2                !
 ! D206  D(34,35,36,54)       -179.7237         estimate D2E/DX2                !
 ! D207  D(61,35,36,37)       -179.8409         estimate D2E/DX2                !
 ! D208  D(61,35,36,54)         -0.4311         estimate D2E/DX2                !
 ! D209  D(34,35,61,60)          1.6853         estimate D2E/DX2                !
 ! D210  D(34,35,61,95)       -179.2889         estimate D2E/DX2                !
 ! D211  D(36,35,61,60)       -177.4854         estimate D2E/DX2                !
 ! D212  D(36,35,61,95)          1.5404         estimate D2E/DX2                !
 ! D213  D(35,36,37,25)         -0.6596         estimate D2E/DX2                !
 ! D214  D(35,36,37,57)        174.586          estimate D2E/DX2                !
 ! D215  D(54,36,37,25)        179.8977         estimate D2E/DX2                !
 ! D216  D(54,36,37,57)         -4.8568         estimate D2E/DX2                !
 ! D217  D(35,36,54,55)       -177.6684         estimate D2E/DX2                !
 ! D218  D(35,36,54,88)          1.4192         estimate D2E/DX2                !
 ! D219  D(37,36,54,55)          1.6398         estimate D2E/DX2                !
 ! D220  D(37,36,54,88)       -179.2726         estimate D2E/DX2                !
 ! D221  D(25,37,57,56)        178.7307         estimate D2E/DX2                !
 ! D222  D(25,37,57,91)          2.2112         estimate D2E/DX2                !
 ! D223  D(36,37,57,56)          4.9022         estimate D2E/DX2                !
 ! D224  D(36,37,57,91)       -171.6173         estimate D2E/DX2                !
 ! D225  D(28,38,39,40)          1.9575         estimate D2E/DX2                !
 ! D226  D(28,38,39,73)        179.3813         estimate D2E/DX2                !
 ! D227  D(72,38,39,40)       -177.3665         estimate D2E/DX2                !
 ! D228  D(72,38,39,73)          0.0573         estimate D2E/DX2                !
 ! D229  D(38,39,40,41)         -1.5761         estimate D2E/DX2                !
 ! D230  D(38,39,40,74)        176.4251         estimate D2E/DX2                !
 ! D231  D(73,39,40,41)       -178.999          estimate D2E/DX2                !
 ! D232  D(73,39,40,74)         -0.9978         estimate D2E/DX2                !
 ! D233  D(39,40,41,29)         -2.2831         estimate D2E/DX2                !
 ! D234  D(39,40,41,75)        174.7933         estimate D2E/DX2                !
 ! D235  D(74,40,41,29)        179.731          estimate D2E/DX2                !
 ! D236  D(74,40,41,75)         -3.1926         estimate D2E/DX2                !
 ! D237  D(26,42,43,44)         -1.974          estimate D2E/DX2                !
 ! D238  D(26,42,43,77)       -179.8938         estimate D2E/DX2                !
 ! D239  D(76,42,43,44)        174.8915         estimate D2E/DX2                !
 ! D240  D(76,42,43,77)         -3.0283         estimate D2E/DX2                !
 ! D241  D(42,43,44,45)         -1.5426         estimate D2E/DX2                !
 ! D242  D(42,43,44,78)       -178.973          estimate D2E/DX2                !
 ! D243  D(77,43,44,45)        176.3951         estimate D2E/DX2                !
 ! D244  D(77,43,44,78)         -1.0352         estimate D2E/DX2                !
 ! D245  D(43,44,45,27)          1.7422         estimate D2E/DX2                !
 ! D246  D(43,44,45,79)       -177.3656         estimate D2E/DX2                !
 ! D247  D(78,44,45,27)        179.1747         estimate D2E/DX2                !
 ! D248  D(78,44,45,79)          0.067          estimate D2E/DX2                !
 ! D249  D(32,46,47,48)          1.9882         estimate D2E/DX2                !
 ! D250  D(32,46,47,81)        179.3767         estimate D2E/DX2                !
 ! D251  D(80,46,47,48)       -177.2991         estimate D2E/DX2                !
 ! D252  D(80,46,47,81)          0.0894         estimate D2E/DX2                !
 ! D253  D(46,47,48,49)         -1.6022         estimate D2E/DX2                !
 ! D254  D(46,47,48,82)        176.3972         estimate D2E/DX2                !
 ! D255  D(81,47,48,49)       -178.9896         estimate D2E/DX2                !
 ! D256  D(81,47,48,82)         -0.9902         estimate D2E/DX2                !
 ! D257  D(47,48,49,33)         -2.3181         estimate D2E/DX2                !
 ! D258  D(47,48,49,83)        174.7666         estimate D2E/DX2                !
 ! D259  D(82,48,49,33)        179.6983         estimate D2E/DX2                !
 ! D260  D(82,48,49,83)         -3.2171         estimate D2E/DX2                !
 ! D261  D(30,50,51,52)         -1.9681         estimate D2E/DX2                !
 ! D262  D(30,50,51,85)       -179.8848         estimate D2E/DX2                !
 ! D263  D(84,50,51,52)        174.8943         estimate D2E/DX2                !
 ! D264  D(84,50,51,85)         -3.0224         estimate D2E/DX2                !
 ! D265  D(50,51,52,53)         -1.5205         estimate D2E/DX2                !
 ! D266  D(50,51,52,86)       -178.9698         estimate D2E/DX2                !
 ! D267  D(85,51,52,53)        176.4142         estimate D2E/DX2                !
 ! D268  D(85,51,52,86)         -1.0351         estimate D2E/DX2                !
 ! D269  D(51,52,53,31)          1.719          estimate D2E/DX2                !
 ! D270  D(51,52,53,87)       -177.4063         estimate D2E/DX2                !
 ! D271  D(86,52,53,31)        179.1706         estimate D2E/DX2                !
 ! D272  D(86,52,53,87)          0.0453         estimate D2E/DX2                !
 ! D273  D(36,54,55,56)          1.7052         estimate D2E/DX2                !
 ! D274  D(36,54,55,89)        179.1529         estimate D2E/DX2                !
 ! D275  D(88,54,55,56)       -177.4031         estimate D2E/DX2                !
 ! D276  D(88,54,55,89)          0.0447         estimate D2E/DX2                !
 ! D277  D(54,55,56,57)         -1.5412         estimate D2E/DX2                !
 ! D278  D(54,55,56,90)        176.3863         estimate D2E/DX2                !
 ! D279  D(89,55,56,57)       -178.9865         estimate D2E/DX2                !
 ! D280  D(89,55,56,90)         -1.059          estimate D2E/DX2                !
 ! D281  D(55,56,57,37)         -1.954          estimate D2E/DX2                !
 ! D282  D(55,56,57,91)        174.8654         estimate D2E/DX2                !
 ! D283  D(90,56,57,37)       -179.864          estimate D2E/DX2                !
 ! D284  D(90,56,57,91)         -3.0446         estimate D2E/DX2                !
 ! D285  D(34,58,59,60)         -1.9873         estimate D2E/DX2                !
 ! D286  D(34,58,59,93)       -179.8759         estimate D2E/DX2                !
 ! D287  D(92,58,59,60)        174.7891         estimate D2E/DX2                !
 ! D288  D(92,58,59,93)         -3.0995         estimate D2E/DX2                !
 ! D289  D(58,59,60,61)         -1.5956         estimate D2E/DX2                !
 ! D290  D(58,59,60,94)       -178.9543         estimate D2E/DX2                !
 ! D291  D(93,59,60,61)        176.3107         estimate D2E/DX2                !
 ! D292  D(93,59,60,94)         -1.0479         estimate D2E/DX2                !
 ! D293  D(59,60,61,35)          1.7539         estimate D2E/DX2                !
 ! D294  D(59,60,61,95)       -177.294          estimate D2E/DX2                !
 ! D295  D(94,60,61,35)        179.1147         estimate D2E/DX2                !
 ! D296  D(94,60,61,95)          0.0668         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=    576 maximum allowed number of steps=    576.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.837752    2.768147    0.070753
      2          6           0       -2.053813    1.442361   -0.065423
      3          6           0       -1.139315    0.445626   -0.069358
      4          6           0        0.155792    0.810741    0.000639
      5          6           0        0.430280    2.120691    0.145070
      6          6           0       -0.528451    3.055491    0.184995
      7          6           0       -1.451107   -0.869803   -0.196831
      8          6           0       -0.464404   -1.787677   -0.296093
      9          6           0        0.837499   -1.417110   -0.236723
     10          6           0        1.138747   -0.111358   -0.078229
     11          6           0       -2.725039   -1.324495   -0.171860
     12          6           0       -3.159882   -2.595116   -0.302325
     13          6           0       -2.135790   -3.453907   -0.446301
     14          6           0       -0.851870   -3.070038   -0.438695
     15          7           0        1.840799   -2.262982   -0.295453
     16          6           0        3.073064   -1.830514   -0.259117
     17          6           0        3.312097   -0.523220   -0.109909
     18          7           0        2.343498    0.284559   -0.033512
     19          6           0        4.136135   -2.643442   -0.352483
     20          6           0        5.385021   -2.153562   -0.305644
     21          6           0        5.680235   -0.843970   -0.154845
     22          6           0        4.577660   -0.067458   -0.062752
     23          7           0       -2.778577    3.651884    0.067184
     24          7           0       -4.405192   -2.934856   -0.280160
     25          7           0        6.884705   -0.384247   -0.105640
     26          6           0       -4.881456   -4.090267    0.044025
     27          6           0       -6.223418   -4.092719   -0.040267
     28          6           0       -6.569929   -2.863932   -0.420308
     29          6           0       -5.418357   -2.186812   -0.568698
     30          6           0       -2.672521    4.898306   -0.252689
     31          6           0       -3.857145    5.524567   -0.141744
     32          6           0       -4.726317    4.596224    0.253494
     33          6           0       -4.017280    3.461660    0.382778
     34          6           0        7.270449    0.707987    0.464976
     35          6           0        8.595473    0.881677    0.318819
     36          6           0        9.029397   -0.176424   -0.363728
     37          6           0        7.941526   -0.925958   -0.611996
     38          6           0       -7.790499   -2.355580   -0.636217
     39          6           0       -7.884621   -1.087538   -1.059537
     40          6           0       -6.760858   -0.392692   -1.287805
     41          6           0       -5.552915   -0.940307   -1.067883
     42          6           0       -4.340448   -5.225298    0.531528
     43          6           0       -5.093474   -6.304249    0.808958
     44          6           0       -6.424232   -6.278359    0.646813
     45          6           0       -7.006464   -5.145492    0.230746
     46          6           0       -6.038362    4.712874    0.498607
     47          6           0       -6.701435    3.632751    0.934026
     48          6           0       -6.023853    2.495208    1.145132
     49          6           0       -4.704946    2.419920    0.895869
     50          6           0       -1.676103    5.654366   -0.757029
     51          6           0       -1.846685    6.960852   -1.025670
     52          6           0       -3.033318    7.556008   -0.837321
     53          6           0       -4.066683    6.821716   -0.403080
     54          6           0       10.273495   -0.477419   -0.759293
     55          6           0       10.456378   -1.589834   -1.483751
     56          6           0        9.391315   -2.335229   -1.812337
     57          6           0        8.156340   -1.998639   -1.400483
     58          6           0        6.658534    1.625895    1.240906
     59          6           0        7.320596    2.686853    1.734909
     60          6           0        8.631413    2.851510    1.505112
     61          6           0        9.289431    1.922724    0.798026
     62          1           0       -3.076858    1.177805   -0.334150
     63          1           0        1.462735    2.493035    0.259965
     64          1           0       -0.165830    4.070027    0.395347
     65          1           0       -3.500987   -0.614670    0.115637
     66          1           0       -2.293319   -4.519079   -0.661584
     67          1           0       -0.138074   -3.895816   -0.578451
     68          1           0        1.703901   -3.266698   -0.469414
     69          1           0        3.992605   -3.734726   -0.440463
     70          1           0        6.160080   -2.931503   -0.296563
     71          1           0        4.657635    1.027741   -0.038704
     72          1           0       -8.704609   -2.951007   -0.486761
     73          1           0       -8.870999   -0.636612   -1.258114
     74          1           0       -6.835238    0.631495   -1.693100
     75          1           0       -4.708113   -0.309047   -1.375204
     76          1           0       -3.278589   -5.336571    0.786018
     77          1           0       -4.620136   -7.217828    1.208808
     78          1           0       -7.035399   -7.162511    0.892914
     79          1           0       -8.102270   -5.097186    0.135166
     80          1           0       -6.574027    5.665252    0.363802
     81          1           0       -7.779708    3.691185    1.156645
     82          1           0       -6.556360    1.621884    1.560620
     83          1           0       -4.243899    1.467720    1.191991
     84          1           0       -0.689464    5.260688   -1.033031
     85          1           0       -1.011001    7.551286   -1.439934
     86          1           0       -3.168363    8.623899   -1.076344
     87          1           0       -5.057172    7.287930   -0.285000
     88          1           0       11.133598    0.166471   -0.519012
     89          1           0       11.463090   -1.864586   -1.840032
     90          1           0        9.534065   -3.218192   -2.459370
     91          1           0        7.353663   -2.630755   -1.802567
     92          1           0        5.613033    1.549908    1.568188
     93          1           0        6.791358    3.419456    2.368761
     94          1           0        9.169505    3.715676    1.928686
     95          1           0       10.374412    2.022682    0.640023
     96         17           0        1.606546   -2.818369    2.464103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0544460           0.0207739           0.0156097
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      8287.1050996813 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  6.79D-05  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.07838801     A.U. after   19 cycles
            NFock= 19  Conv=0.19D-08     -V/T= 2.0037

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.37634 -14.44503 -14.40630 -14.40322 -14.40100
 Alpha  occ. eigenvalues --  -14.33960 -10.25942 -10.24706 -10.24693 -10.24522
 Alpha  occ. eigenvalues --  -10.23806 -10.23504 -10.23033 -10.21793 -10.21630
 Alpha  occ. eigenvalues --  -10.21608 -10.21438 -10.21431 -10.21401 -10.21231
 Alpha  occ. eigenvalues --  -10.21137 -10.20921 -10.20815 -10.20335 -10.20026
 Alpha  occ. eigenvalues --  -10.20014 -10.19593 -10.19509 -10.19189 -10.19141
 Alpha  occ. eigenvalues --  -10.19098 -10.18842 -10.18784 -10.18729 -10.18535
 Alpha  occ. eigenvalues --  -10.18454 -10.18439 -10.18330 -10.18298 -10.18289
 Alpha  occ. eigenvalues --  -10.18237 -10.18169 -10.18152 -10.18100 -10.18054
 Alpha  occ. eigenvalues --  -10.18047 -10.18034 -10.17992 -10.17967 -10.17944
 Alpha  occ. eigenvalues --  -10.17917 -10.17770 -10.17756 -10.17636 -10.17624
 Alpha  occ. eigenvalues --  -10.17584 -10.17066 -10.16926 -10.16855 -10.16769
 Alpha  occ. eigenvalues --  -10.16721 -10.16681  -9.28943  -7.04887  -7.04648
 Alpha  occ. eigenvalues --   -7.04640  -1.09168  -1.09000  -1.08732  -1.07612
 Alpha  occ. eigenvalues --   -0.98874  -0.95045  -0.92758  -0.92345  -0.91228
 Alpha  occ. eigenvalues --   -0.89117  -0.88622  -0.88396  -0.88218  -0.88157
 Alpha  occ. eigenvalues --   -0.85863  -0.83920  -0.83627  -0.81830  -0.81522
 Alpha  occ. eigenvalues --   -0.80244  -0.78846  -0.78745  -0.78644  -0.78135
 Alpha  occ. eigenvalues --   -0.77564  -0.76929  -0.75293  -0.75175  -0.74852
 Alpha  occ. eigenvalues --   -0.73485  -0.73424  -0.73287  -0.73223  -0.71224
 Alpha  occ. eigenvalues --   -0.70119  -0.69297  -0.68233  -0.66996  -0.66073
 Alpha  occ. eigenvalues --   -0.65507  -0.65314  -0.64187  -0.63880  -0.63480
 Alpha  occ. eigenvalues --   -0.62994  -0.62819  -0.62332  -0.60850  -0.60145
 Alpha  occ. eigenvalues --   -0.59699  -0.59532  -0.58454  -0.58323  -0.58057
 Alpha  occ. eigenvalues --   -0.57845  -0.57720  -0.55736  -0.54553  -0.54120
 Alpha  occ. eigenvalues --   -0.53896  -0.53594  -0.53175  -0.52356  -0.52185
 Alpha  occ. eigenvalues --   -0.52057  -0.51732  -0.51504  -0.50915  -0.50640
 Alpha  occ. eigenvalues --   -0.50154  -0.49351  -0.48925  -0.48808  -0.48582
 Alpha  occ. eigenvalues --   -0.48313  -0.47673  -0.47256  -0.47131  -0.46796
 Alpha  occ. eigenvalues --   -0.45766  -0.45585  -0.45081  -0.44927  -0.44689
 Alpha  occ. eigenvalues --   -0.44584  -0.44211  -0.43804  -0.43636  -0.43457
 Alpha  occ. eigenvalues --   -0.43332  -0.42848  -0.42763  -0.42663  -0.42574
 Alpha  occ. eigenvalues --   -0.42266  -0.42005  -0.41827  -0.41676  -0.41280
 Alpha  occ. eigenvalues --   -0.40574  -0.39756  -0.39497  -0.38636  -0.38260
 Alpha  occ. eigenvalues --   -0.38138  -0.37968  -0.37923  -0.37454  -0.37019
 Alpha  occ. eigenvalues --   -0.36848  -0.36802  -0.36758  -0.36644  -0.36542
 Alpha  occ. eigenvalues --   -0.36372  -0.35848  -0.35192  -0.33918  -0.33825
 Alpha  occ. eigenvalues --   -0.33670  -0.33610  -0.33549  -0.33326  -0.31913
 Alpha  occ. eigenvalues --   -0.31180  -0.30477  -0.29939  -0.29729  -0.29121
 Alpha  occ. eigenvalues --   -0.27607  -0.27115  -0.26982  -0.26762  -0.26724
 Alpha  occ. eigenvalues --   -0.25761  -0.24703  -0.22537  -0.22284  -0.22157
 Alpha  occ. eigenvalues --   -0.22031  -0.21054  -0.20685  -0.17350  -0.17012
 Alpha  occ. eigenvalues --   -0.16963
 Alpha virt. eigenvalues --   -0.11581  -0.05768  -0.04978  -0.02943  -0.02668
 Alpha virt. eigenvalues --   -0.02534  -0.01691  -0.00665   0.00390   0.00625
 Alpha virt. eigenvalues --    0.00895   0.00986   0.02118   0.03859   0.04094
 Alpha virt. eigenvalues --    0.05096   0.05247   0.05480   0.05802   0.06376
 Alpha virt. eigenvalues --    0.07727   0.08050   0.08614   0.08861   0.09038
 Alpha virt. eigenvalues --    0.09271   0.09501   0.09850   0.10796   0.10915
 Alpha virt. eigenvalues --    0.11403   0.11856   0.12381   0.13615   0.13774
 Alpha virt. eigenvalues --    0.14275   0.15019   0.15600   0.15775   0.15929
 Alpha virt. eigenvalues --    0.16305   0.16832   0.16951   0.17522   0.17852
 Alpha virt. eigenvalues --    0.18170   0.18394   0.18702   0.18868   0.19299
 Alpha virt. eigenvalues --    0.19759   0.20594   0.20733   0.20917   0.21074
 Alpha virt. eigenvalues --    0.21423   0.21998   0.22168   0.22292   0.22712
 Alpha virt. eigenvalues --    0.23028   0.23136   0.23249   0.23389   0.23573
 Alpha virt. eigenvalues --    0.23784   0.25166   0.25895   0.26206   0.26784
 Alpha virt. eigenvalues --    0.27035   0.27464   0.27801   0.28258   0.28502
 Alpha virt. eigenvalues --    0.28655   0.28860   0.29038   0.29344   0.29614
 Alpha virt. eigenvalues --    0.29978   0.30875   0.31104   0.31555   0.32193
 Alpha virt. eigenvalues --    0.32255   0.32528   0.32758   0.32917   0.33204
 Alpha virt. eigenvalues --    0.33616   0.33714   0.33960   0.34308   0.34363
 Alpha virt. eigenvalues --    0.34905   0.35943   0.37496   0.37668   0.38154
 Alpha virt. eigenvalues --    0.38610   0.39209   0.39499   0.39698   0.39994
 Alpha virt. eigenvalues --    0.40946   0.41202   0.41515   0.41770   0.42345
 Alpha virt. eigenvalues --    0.42737   0.42907   0.43706   0.44917   0.45217
 Alpha virt. eigenvalues --    0.45983   0.46224   0.46472   0.46881   0.47173
 Alpha virt. eigenvalues --    0.47258   0.47390   0.47690   0.47825   0.48542
 Alpha virt. eigenvalues --    0.49026   0.49290   0.49351   0.49647   0.49824
 Alpha virt. eigenvalues --    0.50595   0.50722   0.50857   0.51401   0.51533
 Alpha virt. eigenvalues --    0.51839   0.52244   0.52340   0.52448   0.52774
 Alpha virt. eigenvalues --    0.53085   0.53207   0.53571   0.53792   0.53973
 Alpha virt. eigenvalues --    0.54343   0.54440   0.54605   0.54668   0.55006
 Alpha virt. eigenvalues --    0.55466   0.55574   0.55750   0.55870   0.56189
 Alpha virt. eigenvalues --    0.56940   0.57121   0.57231   0.57344   0.57702
 Alpha virt. eigenvalues --    0.57844   0.58021   0.58061   0.58391   0.58465
 Alpha virt. eigenvalues --    0.58688   0.58880   0.59094   0.59243   0.59525
 Alpha virt. eigenvalues --    0.59873   0.60092   0.60294   0.60433   0.60534
 Alpha virt. eigenvalues --    0.60665   0.60692   0.60787   0.60920   0.61194
 Alpha virt. eigenvalues --    0.61306   0.61472   0.61579   0.61705   0.61832
 Alpha virt. eigenvalues --    0.61996   0.62166   0.62261   0.62423   0.62715
 Alpha virt. eigenvalues --    0.62884   0.63092   0.63110   0.63252   0.63341
 Alpha virt. eigenvalues --    0.63547   0.63631   0.63878   0.63999   0.64011
 Alpha virt. eigenvalues --    0.64506   0.64781   0.65120   0.65437   0.65824
 Alpha virt. eigenvalues --    0.66016   0.66361   0.66482   0.66697   0.67044
 Alpha virt. eigenvalues --    0.67230   0.67553   0.68347   0.68559   0.69361
 Alpha virt. eigenvalues --    0.69610   0.70030   0.70185   0.70390   0.70528
 Alpha virt. eigenvalues --    0.70575   0.71084   0.71130   0.71513   0.71778
 Alpha virt. eigenvalues --    0.71972   0.72610   0.73426   0.73574   0.74223
 Alpha virt. eigenvalues --    0.74654   0.75034   0.75388   0.75693   0.76036
 Alpha virt. eigenvalues --    0.76761   0.76971   0.77060   0.77192   0.77478
 Alpha virt. eigenvalues --    0.77918   0.78286   0.78422   0.79325   0.79525
 Alpha virt. eigenvalues --    0.80165   0.80280   0.80698   0.80842   0.81108
 Alpha virt. eigenvalues --    0.81231   0.81639   0.81892   0.81931   0.82094
 Alpha virt. eigenvalues --    0.82149   0.82386   0.82539   0.82774   0.82848
 Alpha virt. eigenvalues --    0.83264   0.83790   0.84016   0.84477   0.84660
 Alpha virt. eigenvalues --    0.84985   0.85231   0.85401   0.86140   0.86210
 Alpha virt. eigenvalues --    0.86478   0.87073   0.87257   0.87386   0.87422
 Alpha virt. eigenvalues --    0.87943   0.88174   0.88419   0.88995   0.89399
 Alpha virt. eigenvalues --    0.90783   0.91055   0.91371   0.92174   0.92844
 Alpha virt. eigenvalues --    0.93496   0.93790   0.94223   0.94458   0.95246
 Alpha virt. eigenvalues --    0.95586   0.95926   0.96681   0.96775   0.97531
 Alpha virt. eigenvalues --    0.97736   0.98220   0.98275   0.98513   0.98659
 Alpha virt. eigenvalues --    0.98812   0.99189   0.99252   0.99830   1.00088
 Alpha virt. eigenvalues --    1.00455   1.00991   1.01452   1.01700   1.01974
 Alpha virt. eigenvalues --    1.02592   1.03046   1.03186   1.03450   1.03701
 Alpha virt. eigenvalues --    1.03861   1.04004   1.04083   1.04116   1.04527
 Alpha virt. eigenvalues --    1.04765   1.05285   1.05768   1.05879   1.06512
 Alpha virt. eigenvalues --    1.06794   1.07712   1.07826   1.08593   1.09534
 Alpha virt. eigenvalues --    1.10060   1.10687   1.10999   1.11248   1.11809
 Alpha virt. eigenvalues --    1.12257   1.12413   1.13044   1.13475   1.14119
 Alpha virt. eigenvalues --    1.14779   1.15384   1.16048   1.16174   1.16872
 Alpha virt. eigenvalues --    1.17220   1.17518   1.17887   1.18676   1.18802
 Alpha virt. eigenvalues --    1.19126   1.19401   1.20089   1.20343   1.20646
 Alpha virt. eigenvalues --    1.20896   1.21010   1.21335   1.22045   1.22499
 Alpha virt. eigenvalues --    1.22529   1.23296   1.23568   1.23927   1.23949
 Alpha virt. eigenvalues --    1.24163   1.24466   1.24902   1.25003   1.25552
 Alpha virt. eigenvalues --    1.25773   1.26104   1.26664   1.27276   1.28538
 Alpha virt. eigenvalues --    1.28990   1.29500   1.29826   1.29910   1.30434
 Alpha virt. eigenvalues --    1.30552   1.31385   1.31492   1.31616   1.31998
 Alpha virt. eigenvalues --    1.32358   1.33301   1.34006   1.34161   1.34763
 Alpha virt. eigenvalues --    1.34836   1.35863   1.35982   1.36200   1.36355
 Alpha virt. eigenvalues --    1.36603   1.36638   1.36866   1.36963   1.37452
 Alpha virt. eigenvalues --    1.38588   1.38983   1.39304   1.39620   1.39766
 Alpha virt. eigenvalues --    1.40160   1.40645   1.41082   1.41437   1.41728
 Alpha virt. eigenvalues --    1.42305   1.42609   1.42763   1.42950   1.43029
 Alpha virt. eigenvalues --    1.43458   1.43737   1.43857   1.43998   1.44793
 Alpha virt. eigenvalues --    1.45492   1.45956   1.46246   1.46260   1.46461
 Alpha virt. eigenvalues --    1.46589   1.47549   1.47592   1.48241   1.48613
 Alpha virt. eigenvalues --    1.48724   1.49466   1.50205   1.51443   1.53209
 Alpha virt. eigenvalues --    1.53413   1.53868   1.53977   1.54242   1.54894
 Alpha virt. eigenvalues --    1.55508   1.56727   1.57630   1.58798   1.60085
 Alpha virt. eigenvalues --    1.61205   1.61350   1.61754   1.63805   1.64652
 Alpha virt. eigenvalues --    1.66528   1.66766   1.66850   1.67410   1.68168
 Alpha virt. eigenvalues --    1.68393   1.68778   1.69651   1.71130   1.72775
 Alpha virt. eigenvalues --    1.74050   1.74625   1.74996   1.75305   1.76469
 Alpha virt. eigenvalues --    1.76808   1.77194   1.77810   1.78324   1.79050
 Alpha virt. eigenvalues --    1.79336   1.79604   1.79905   1.80186   1.80350
 Alpha virt. eigenvalues --    1.80394   1.80463   1.80713   1.81027   1.82408
 Alpha virt. eigenvalues --    1.82866   1.83677   1.84664   1.84985   1.85544
 Alpha virt. eigenvalues --    1.85736   1.85972   1.86377   1.86609   1.86735
 Alpha virt. eigenvalues --    1.87155   1.87197   1.87608   1.88189   1.88557
 Alpha virt. eigenvalues --    1.89335   1.89614   1.89679   1.89900   1.90041
 Alpha virt. eigenvalues --    1.90142   1.90476   1.90530   1.91688   1.92477
 Alpha virt. eigenvalues --    1.92535   1.92904   1.93042   1.93456   1.93841
 Alpha virt. eigenvalues --    1.94379   1.94627   1.94988   1.95893   1.96129
 Alpha virt. eigenvalues --    1.96509   1.97168   1.97388   1.97604   1.97921
 Alpha virt. eigenvalues --    1.98276   1.98495   1.98857   1.99225   1.99703
 Alpha virt. eigenvalues --    1.99850   2.00072   2.00569   2.00663   2.00671
 Alpha virt. eigenvalues --    2.00997   2.02599   2.02702   2.03130   2.03285
 Alpha virt. eigenvalues --    2.03610   2.03832   2.03995   2.04223   2.04398
 Alpha virt. eigenvalues --    2.05397   2.05623   2.05859   2.06261   2.06313
 Alpha virt. eigenvalues --    2.06571   2.07888   2.08546   2.08749   2.10088
 Alpha virt. eigenvalues --    2.10283   2.10311   2.11682   2.11760   2.12204
 Alpha virt. eigenvalues --    2.12551   2.13653   2.14333   2.14549   2.15170
 Alpha virt. eigenvalues --    2.15825   2.15894   2.16155   2.16455   2.16819
 Alpha virt. eigenvalues --    2.17589   2.18232   2.19805   2.19978   2.20295
 Alpha virt. eigenvalues --    2.20694   2.20917   2.21275   2.21305   2.21570
 Alpha virt. eigenvalues --    2.21914   2.22264   2.22701   2.23086   2.23897
 Alpha virt. eigenvalues --    2.24314   2.24650   2.24830   2.25121   2.25983
 Alpha virt. eigenvalues --    2.26226   2.26840   2.27543   2.28575   2.28611
 Alpha virt. eigenvalues --    2.29275   2.29859   2.30644   2.30763   2.30930
 Alpha virt. eigenvalues --    2.31309   2.31519   2.31563   2.31934   2.31999
 Alpha virt. eigenvalues --    2.32553   2.32955   2.33700   2.34628   2.34913
 Alpha virt. eigenvalues --    2.35133   2.35245   2.35594   2.35691   2.35988
 Alpha virt. eigenvalues --    2.36751   2.36874   2.36992   2.37190   2.37485
 Alpha virt. eigenvalues --    2.37713   2.37842   2.38166   2.38529   2.38675
 Alpha virt. eigenvalues --    2.38953   2.39182   2.39833   2.40645   2.41040
 Alpha virt. eigenvalues --    2.41212   2.41294   2.41616   2.41875   2.42181
 Alpha virt. eigenvalues --    2.42589   2.42820   2.43602   2.44341   2.44699
 Alpha virt. eigenvalues --    2.44793   2.45045   2.45354   2.45843   2.46675
 Alpha virt. eigenvalues --    2.47012   2.47347   2.47564   2.47895   2.48087
 Alpha virt. eigenvalues --    2.48533   2.48868   2.49089   2.49875   2.50070
 Alpha virt. eigenvalues --    2.50185   2.50363   2.50714   2.51019   2.51280
 Alpha virt. eigenvalues --    2.51518   2.52080   2.52141   2.52313   2.53189
 Alpha virt. eigenvalues --    2.53720   2.54396   2.54567   2.54833   2.55241
 Alpha virt. eigenvalues --    2.56240   2.56494   2.57454   2.57571   2.57811
 Alpha virt. eigenvalues --    2.58172   2.58369   2.58901   2.59021   2.59756
 Alpha virt. eigenvalues --    2.60032   2.60498   2.60803   2.61137   2.61174
 Alpha virt. eigenvalues --    2.61613   2.61741   2.61799   2.61877   2.62027
 Alpha virt. eigenvalues --    2.62218   2.62710   2.62947   2.63610   2.64199
 Alpha virt. eigenvalues --    2.65139   2.65507   2.65825   2.66207   2.66758
 Alpha virt. eigenvalues --    2.67216   2.67639   2.67853   2.68040   2.68253
 Alpha virt. eigenvalues --    2.68571   2.69168   2.69586   2.70100   2.70388
 Alpha virt. eigenvalues --    2.71282   2.71795   2.72209   2.72716   2.73405
 Alpha virt. eigenvalues --    2.74105   2.74374   2.74532   2.75186   2.75754
 Alpha virt. eigenvalues --    2.76562   2.76865   2.77419   2.78393   2.79484
 Alpha virt. eigenvalues --    2.79636   2.79798   2.80768   2.81059   2.82379
 Alpha virt. eigenvalues --    2.82901   2.83871   2.84810   2.85683   2.85949
 Alpha virt. eigenvalues --    2.87178   2.87627   2.87840   2.88396   2.88726
 Alpha virt. eigenvalues --    2.89303   2.90306   2.91142   2.91510   2.92522
 Alpha virt. eigenvalues --    2.93094   2.93674   2.94675   2.94812   2.95033
 Alpha virt. eigenvalues --    2.95062   2.95517   2.96275   2.96620   2.97968
 Alpha virt. eigenvalues --    2.98948   2.98971   2.99247   2.99843   3.00112
 Alpha virt. eigenvalues --    3.00372   3.02236   3.02652   3.03734   3.04980
 Alpha virt. eigenvalues --    3.06587   3.07456   3.09110   3.09530   3.12925
 Alpha virt. eigenvalues --    3.15674   3.16605   3.18671   3.20370   3.20596
 Alpha virt. eigenvalues --    3.20890   3.20980   3.21380   3.21890   3.22021
 Alpha virt. eigenvalues --    3.22172   3.22473   3.23231   3.24254   3.24474
 Alpha virt. eigenvalues --    3.24816   3.25685   3.26059   3.26942   3.27014
 Alpha virt. eigenvalues --    3.27192   3.27784   3.28078   3.30033   3.30847
 Alpha virt. eigenvalues --    3.31752   3.33482   3.33790   3.35368   3.37821
 Alpha virt. eigenvalues --    3.39026   3.39414   3.39464   3.40021   3.40590
 Alpha virt. eigenvalues --    3.42195   3.43871   3.45270   3.45492   3.45934
 Alpha virt. eigenvalues --    3.48389   3.48682   3.49146   3.49558   3.52236
 Alpha virt. eigenvalues --    3.55092   3.55729   3.56214   3.56931   3.61360
 Alpha virt. eigenvalues --    3.62978   3.63149   3.64914   3.66314   3.67074
 Alpha virt. eigenvalues --    3.78254   3.80334   3.84110   3.91745   3.94904
 Alpha virt. eigenvalues --    3.95560   3.96401   4.01896   4.04012   4.04243
 Alpha virt. eigenvalues --    4.04327   4.11986   4.13870   4.14482   4.14599
 Alpha virt. eigenvalues --    4.14817   4.15707   4.17095   4.17333   4.17404
 Alpha virt. eigenvalues --    4.17457   4.17594   4.17742   4.17943   4.18131
 Alpha virt. eigenvalues --    4.18500   4.19427   4.20317   4.20523   4.20682
 Alpha virt. eigenvalues --    4.20775   4.20885   4.22180   4.26460   4.26791
 Alpha virt. eigenvalues --    4.27153   4.28680   4.30504   4.30614   4.38618
 Alpha virt. eigenvalues --    4.39463   4.40449   4.40462   4.40921   4.43948
 Alpha virt. eigenvalues --    4.45608   4.49206   4.51833   4.52179   4.53100
 Alpha virt. eigenvalues --    4.56659   4.57229   4.57397   4.57686   4.57873
 Alpha virt. eigenvalues --    4.58842   4.59910   4.60824   4.65534   4.72722
 Alpha virt. eigenvalues --    4.77019   4.79077   4.80501   4.86179   4.91983
 Alpha virt. eigenvalues --    4.97393   5.02656   5.06835   5.06954   5.07129
 Alpha virt. eigenvalues --    5.07334   5.10429   5.22111
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.395980
     2  C   -0.272610
     3  C    0.113943
     4  C    0.053166
     5  C   -0.129157
     6  C   -0.143103
     7  C    0.089418
     8  C    0.192847
     9  C    0.354092
    10  C    0.250211
    11  C   -0.264977
    12  C    0.395840
    13  C   -0.141684
    14  C   -0.147974
    15  N   -0.652398
    16  C    0.421371
    17  C    0.326415
    18  N   -0.590822
    19  C   -0.141671
    20  C   -0.133535
    21  C    0.375906
    22  C   -0.198038
    23  N   -0.689273
    24  N   -0.692378
    25  N   -0.686109
    26  C    0.295731
    27  C    0.028374
    28  C    0.034996
    29  C    0.291389
    30  C    0.298495
    31  C    0.028061
    32  C    0.034465
    33  C    0.289315
    34  C    0.295590
    35  C    0.032626
    36  C    0.030784
    37  C    0.297748
    38  C   -0.115652
    39  C   -0.110410
    40  C   -0.084492
    41  C   -0.128746
    42  C   -0.122067
    43  C   -0.084033
    44  C   -0.107565
    45  C   -0.115654
    46  C   -0.115836
    47  C   -0.111261
    48  C   -0.084869
    49  C   -0.131617
    50  C   -0.120597
    51  C   -0.083671
    52  C   -0.108737
    53  C   -0.115777
    54  C   -0.114451
    55  C   -0.108700
    56  C   -0.083229
    57  C   -0.121262
    58  C   -0.122344
    59  C   -0.084399
    60  C   -0.107790
    61  C   -0.115514
    62  H    0.106632
    63  H    0.115182
    64  H    0.105919
    65  H    0.117495
    66  H    0.105992
    67  H    0.085537
    68  H    0.290124
    69  H    0.108958
    70  H    0.124384
    71  H    0.120088
    72  H    0.085168
    73  H    0.078187
    74  H    0.087487
    75  H    0.098741
    76  H    0.105036
    77  H    0.085130
    78  H    0.078637
    79  H    0.084021
    80  H    0.083111
    81  H    0.076544
    82  H    0.087377
    83  H    0.104186
    84  H    0.089366
    85  H    0.078951
    86  H    0.076227
    87  H    0.083289
    88  H    0.084925
    89  H    0.077413
    90  H    0.079164
    91  H    0.084122
    92  H    0.107182
    93  H    0.083288
    94  H    0.077500
    95  H    0.083472
    96  Cl  -0.783194
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.395980
     2  C   -0.165978
     3  C    0.113943
     4  C    0.053166
     5  C   -0.013975
     6  C   -0.037184
     7  C    0.089418
     8  C    0.192847
     9  C    0.354092
    10  C    0.250211
    11  C   -0.147483
    12  C    0.395840
    13  C   -0.035693
    14  C   -0.062437
    15  N   -0.362275
    16  C    0.421371
    17  C    0.326415
    18  N   -0.590822
    19  C   -0.032712
    20  C   -0.009152
    21  C    0.375906
    22  C   -0.077950
    23  N   -0.689273
    24  N   -0.692378
    25  N   -0.686109
    26  C    0.295731
    27  C    0.028374
    28  C    0.034996
    29  C    0.291389
    30  C    0.298495
    31  C    0.028061
    32  C    0.034465
    33  C    0.289315
    34  C    0.295590
    35  C    0.032626
    36  C    0.030784
    37  C    0.297748
    38  C   -0.030484
    39  C   -0.032224
    40  C    0.002995
    41  C   -0.030005
    42  C   -0.017031
    43  C    0.001097
    44  C   -0.028929
    45  C   -0.031632
    46  C   -0.032725
    47  C   -0.034717
    48  C    0.002508
    49  C   -0.027431
    50  C   -0.031231
    51  C   -0.004720
    52  C   -0.032510
    53  C   -0.032488
    54  C   -0.029527
    55  C   -0.031287
    56  C   -0.004065
    57  C   -0.037140
    58  C   -0.015162
    59  C   -0.001111
    60  C   -0.030290
    61  C   -0.032042
    96  Cl  -0.783194
 Electronic spatial extent (au):  <R**2>=          63126.4280
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2946    Y=              2.2220    Z=             -8.8028  Tot=              9.1708
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -297.9244   YY=           -330.1385   ZZ=           -380.8755
   XY=              6.2772   XZ=            -17.2144   YZ=             27.6576
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             38.3884   YY=              6.1743   ZZ=            -44.5627
   XY=              6.2772   XZ=            -17.2144   YZ=             27.6576
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             89.6496  YYY=              4.0800  ZZZ=            -52.8397  XYY=            -54.2607
  XXY=            -21.2615  XXZ=            -28.5610  XZZ=            -12.1425  YZZ=             58.9393
  YYZ=            -79.1395  XYZ=            102.7262
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -56662.3069 YYYY=         -21689.6495 ZZZZ=          -2189.0225 XXXY=            290.3312
 XXXZ=           -371.0902 YYYX=             45.6195 YYYZ=            -45.8730 ZZZX=            -96.8209
 ZZZY=            186.0434 XXYY=         -13240.5913 XXZZ=         -11118.5772 YYZZ=          -4485.4210
 XXYZ=            353.7186 YYXZ=           -228.7128 ZZXY=             84.4866
 N-N= 8.287105099681D+03 E-N=-2.330115018739D+04  KE= 2.877449507594D+03
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.070742478   -0.048232473    0.001689320
      2        6          -0.075365669   -0.040165720   -0.021287660
      3        6          -0.019175458    0.043714686    0.001944582
      4        6          -0.020117893    0.023099324    0.004620633
      5        6           0.043504242    0.052833908    0.007813748
      6        6           0.027428367    0.079926396    0.019437017
      7        6          -0.021659679   -0.037912302   -0.001377159
      8        6           0.004446159   -0.025526797   -0.005864632
      9        6           0.016098991   -0.026113581   -0.004076796
     10        6           0.025050193   -0.001345304    0.001859346
     11        6          -0.073243952    0.040133932    0.018379594
     12        6           0.066654487    0.047984814    0.000249841
     13        6           0.032811986   -0.082233270   -0.019356537
     14        6           0.042733942   -0.051810002   -0.006096197
     15        7          -0.010681704   -0.049581523   -0.013041198
     16        6           0.019671456   -0.038453737   -0.003499928
     17        6           0.026254877    0.003242255    0.003734052
     18        7          -0.026471774    0.097146707    0.008480368
     19        6           0.027183179   -0.063649842   -0.007581942
     20        6           0.054638661   -0.072183562    0.002900976
     21        6          -0.080535122   -0.025700657   -0.003422332
     22        6           0.014173157    0.084586774   -0.002321128
     23        7           0.015898299   -0.011306026    0.001879039
     24        7           0.022408630    0.013844814   -0.001016515
     25        7          -0.016436444   -0.013172855   -0.000160004
     26        6           0.024634381   -0.098109219    0.034078486
     27        6          -0.014757444   -0.043927709    0.006916019
     28        6          -0.044684838    0.009302560   -0.006096786
     29        6          -0.069856665    0.072273830   -0.033817654
     30        6           0.026007622    0.096472881   -0.033540084
     31        6          -0.015776373    0.043200985   -0.007307689
     32        6          -0.044639827   -0.009883616    0.004691311
     33        6          -0.068716485   -0.073147923    0.032221769
     34        6          -0.032557759    0.085885269    0.053476276
     35        6           0.010916283    0.042946816    0.013750899
     36        6           0.045413121   -0.002875513   -0.010473693
     37        6           0.073617286   -0.056268204   -0.050654663
     38        6          -0.053890425   -0.033601984    0.003210970
     39        6          -0.072727002    0.003618777   -0.010704296
     40        6          -0.014262037    0.057440866   -0.025877674
     41        6           0.047852565    0.069258173   -0.022855560
     42        6           0.085250255    0.005200735    0.021091315
     43        6           0.042510530   -0.040900933    0.024627965
     44        6          -0.033903057   -0.064192824    0.012391359
     45        6          -0.056266539   -0.029002076   -0.001751690
     46        6          -0.054481368    0.032185284   -0.004765032
     47        6          -0.073159519   -0.004590183    0.008434026
     48        6          -0.013674131   -0.057550899    0.025504915
     49        6           0.048265902   -0.068988321    0.024462822
     50        6           0.085457700   -0.003045456   -0.019075289
     51        6           0.042577715    0.041422361   -0.023550505
     52        6          -0.034969248    0.063607645   -0.013494372
     53        6          -0.056573651    0.028348084   -0.000142981
     54        6           0.050070665    0.037874736    0.005885311
     55        6           0.071732752    0.006583070   -0.016074984
     56        6           0.017278735   -0.050245144   -0.036303345
     57        6          -0.041687527   -0.068861568   -0.032617174
     58        6          -0.082543575   -0.018502513    0.024841824
     59        6          -0.044099722    0.030310289    0.034766331
     60        6           0.028279873    0.064274367    0.022203478
     61        6           0.052735181    0.035020718    0.000486367
     62        1           0.006484814   -0.000329688    0.004719147
     63        1          -0.006641346   -0.014317786   -0.002327363
     64        1          -0.005685469   -0.009664226   -0.002352370
     65        1           0.007635982    0.001275733   -0.004361452
     66        1          -0.005215268    0.009854620    0.002809371
     67        1          -0.004733641    0.008806393    0.002442289
     68        1          -0.006778624    0.011662625    0.010512491
     69        1          -0.001301765    0.010654436    0.001856093
     70        1          -0.006361403    0.010480677   -0.000302478
     71        1           0.002170546   -0.011646150    0.001285978
     72        1           0.009042378    0.004924244   -0.000311852
     73        1           0.009344993   -0.001215875    0.002914051
     74        1           0.006097431   -0.008918827    0.005098091
     75        1          -0.001546795   -0.009322356    0.005470718
     76        1          -0.008629384    0.003378772   -0.004938056
     77        1          -0.004428502    0.009658647   -0.004798036
     78        1           0.003765557    0.008637242   -0.003076400
     79        1           0.008808553    0.005189377    0.000033066
     80        1           0.009014390   -0.004643731    0.000577479
     81        1           0.009343611    0.001385594   -0.002606045
     82        1           0.006130553    0.009068331   -0.004810754
     83        1          -0.001553258    0.009527397   -0.005431088
     84        1          -0.008622027   -0.003577786    0.005123428
     85        1          -0.004352199   -0.009534290    0.004718802
     86        1           0.003815839   -0.008481539    0.003252956
     87        1           0.008921576   -0.005041179    0.000281695
     88        1          -0.008409159   -0.005778093   -0.000602641
     89        1          -0.009216656   -0.000494948    0.003664017
     90        1          -0.006302124    0.006869990    0.006733076
     91        1           0.001220861    0.007812273    0.006502356
     92        1           0.008526657   -0.001163556   -0.006531760
     93        1           0.004982416   -0.008004734   -0.006790363
     94        1          -0.003112646   -0.008202010   -0.004508244
     95        1          -0.008176594   -0.006041152   -0.000414204
     96       17           0.000375918   -0.003467747   -0.001656461
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.098109219 RMS     0.033234255

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.142134820 RMS     0.030821781
 Search for a local minimum.
 Step number   1 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.01966   0.02702   0.02709   0.02726   0.02729
     Eigenvalues ---    0.02737   0.02748   0.02759   0.02760   0.02773
     Eigenvalues ---    0.02779   0.02780   0.02786   0.02787   0.02788
     Eigenvalues ---    0.02789   0.02793   0.02794   0.02794   0.02795
     Eigenvalues ---    0.02808   0.02822   0.02823   0.02823   0.02825
     Eigenvalues ---    0.02825   0.02825   0.02826   0.02826   0.02829
     Eigenvalues ---    0.02834   0.02841   0.02843   0.02846   0.02847
     Eigenvalues ---    0.02847   0.02847   0.02849   0.02849   0.02858
     Eigenvalues ---    0.02858   0.02862   0.02869   0.02871   0.02871
     Eigenvalues ---    0.02871   0.02875   0.02875   0.02875   0.02879
     Eigenvalues ---    0.02879   0.02879   0.02879   0.02879   0.02879
     Eigenvalues ---    0.02880   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02901   0.02909
     Eigenvalues ---    0.02909   0.02910   0.02910   0.02914   0.02916
     Eigenvalues ---    0.02925   0.02926   0.02931   0.02961   0.02961
     Eigenvalues ---    0.02966   0.02979   0.03012   0.03021   0.03022
     Eigenvalues ---    0.03026   0.03127   0.03128   0.03133   0.03135
     Eigenvalues ---    0.03136   0.03145   0.03273   0.06669   0.15871
     Eigenvalues ---    0.15878   0.15884   0.15922   0.15934   0.15952
     Eigenvalues ---    0.15957   0.15973   0.15974   0.15975   0.15975
     Eigenvalues ---    0.15977   0.15977   0.15983   0.15984   0.15984
     Eigenvalues ---    0.15984   0.15984   0.15985   0.15993   0.15993
     Eigenvalues ---    0.15993   0.15993   0.15993   0.15994   0.15994
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15999   0.15999   0.16833   0.21993
     Eigenvalues ---    0.21993   0.21995   0.21995   0.21995   0.21995
     Eigenvalues ---    0.22412   0.22417   0.22431   0.22587   0.22587
     Eigenvalues ---    0.22588   0.22593   0.22593   0.22593   0.23460
     Eigenvalues ---    0.23480   0.23499   0.23555   0.24392   0.24395
     Eigenvalues ---    0.24395   0.24443   0.24447   0.24447   0.24573
     Eigenvalues ---    0.24586   0.24632   0.24862   0.24864   0.24865
     Eigenvalues ---    0.24927   0.24931   0.24932   0.24934   0.24984
     Eigenvalues ---    0.24987   0.24993   0.24995   0.24996   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25000   0.25000   0.33223
     Eigenvalues ---    0.33240   0.33247   0.33252   0.33255   0.33256
     Eigenvalues ---    0.33257   0.33293   0.33388   0.33392   0.33395
     Eigenvalues ---    0.33396   0.33397   0.33400   0.33558   0.33564
     Eigenvalues ---    0.33569   0.33575   0.33575   0.33577   0.33635
     Eigenvalues ---    0.33837   0.33852   0.33862   0.33885   0.33886
     Eigenvalues ---    0.33897   0.33908   0.33934   0.33951   0.33954
     Eigenvalues ---    0.34774   0.34786   0.42056   0.43306   0.43317
     Eigenvalues ---    0.43319   0.44368   0.45268   0.47849   0.48381
     Eigenvalues ---    0.48388   0.48390   0.48703   0.49006   0.49343
     Eigenvalues ---    0.49890   0.49900   0.49937   0.50044   0.50048
     Eigenvalues ---    0.50074   0.50635   0.52356   0.52889   0.53685
     Eigenvalues ---    0.53723   0.53731   0.53965   0.53970   0.53979
     Eigenvalues ---    0.54182   0.54774   0.54821   0.55085   0.55407
     Eigenvalues ---    0.55471   0.55561   0.55610   0.55862   0.55868
     Eigenvalues ---    0.55913   0.55918   0.56083   0.56088   0.56108
     Eigenvalues ---    0.56263   0.56656   0.56657   0.56658   0.56663
     Eigenvalues ---    0.56672   0.56675   0.56689   0.56699   0.56748
     Eigenvalues ---    0.56846   0.56856   0.56860   0.57156   0.57158
     Eigenvalues ---    0.57163   0.57170   0.57174   0.57177   0.59485
     Eigenvalues ---    0.63697   0.65862   0.65890   0.66006   0.67291
     Eigenvalues ---    0.67351   0.67446   0.69752   0.69815   0.70001
     Eigenvalues ---    0.73801   0.76456
 RFO step:  Lambda=-5.07239221D-01 EMin= 1.96565118D-02
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.442
 Iteration  1 RMS(Cart)=  0.07270182 RMS(Int)=  0.00008911
 Iteration  2 RMS(Cart)=  0.00034004 RMS(Int)=  0.00000678
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000678
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.55143   0.06165   0.00000   0.02573   0.02574   2.57717
    R2        2.54229   0.07841   0.00000   0.03233   0.03233   2.57461
    R3        2.43925   0.13767   0.00000   0.05044   0.05044   2.48969
    R4        2.55624   0.05833   0.00000   0.02457   0.02457   2.58081
    R5        2.06043  -0.00654   0.00000  -0.00338  -0.00338   2.05705
    R6        2.54623   0.08459   0.00000   0.03557   0.03559   2.58182
    R7        2.56601   0.10672   0.00000   0.04539   0.04539   2.61140
    R8        2.54389   0.06431   0.00000   0.02667   0.02667   2.57056
    R9        2.55126   0.10867   0.00000   0.04560   0.04561   2.59687
   R10        2.53153   0.04901   0.00000   0.01996   0.01995   2.55149
   R11        2.08539  -0.01374   0.00000  -0.00722  -0.00722   2.07817
   R12        2.07442  -0.01038   0.00000  -0.00542  -0.00542   2.06901
   R13        2.55353   0.08530   0.00000   0.03551   0.03550   2.58903
   R14        2.55656   0.05514   0.00000   0.02322   0.02322   2.57979
   R15        2.56042   0.08290   0.00000   0.03463   0.03462   2.59504
   R16        2.54582   0.06811   0.00000   0.02823   0.02822   2.57404
   R17        2.54998   0.09212   0.00000   0.03790   0.03789   2.58787
   R18        2.48235   0.05098   0.00000   0.01864   0.01862   2.50097
   R19        2.39792   0.08937   0.00000   0.03158   0.03159   2.42952
   R20        2.54979   0.06540   0.00000   0.02733   0.02733   2.57712
   R21        2.06024  -0.00699   0.00000  -0.00361  -0.00361   2.05663
   R22        2.54027   0.07924   0.00000   0.03270   0.03270   2.57297
   R23        2.43966   0.13303   0.00000   0.04876   0.04876   2.48842
   R24        2.53242   0.04424   0.00000   0.01805   0.01804   2.55046
   R25        2.07505  -0.01070   0.00000  -0.00558  -0.00558   2.06947
   R26        2.07951  -0.00911   0.00000  -0.00477  -0.00477   2.07474
   R27        2.46884   0.06891   0.00000   0.02557   0.02556   2.49440
   R28        1.94233  -0.01204   0.00000  -0.00572  -0.00572   1.93661
   R29        5.33776   0.00444   0.00000   0.00335   0.00335   5.34110
   R30        2.52716   0.09492   0.00000   0.03943   0.03944   2.56661
   R31        2.53512   0.06882   0.00000   0.02829   0.02829   2.56340
   R32        2.38774   0.11382   0.00000   0.03986   0.03988   2.42762
   R33        2.54348   0.07248   0.00000   0.03033   0.03034   2.57382
   R34        2.53667   0.04295   0.00000   0.01735   0.01734   2.55400
   R35        2.08662  -0.01083   0.00000  -0.00570  -0.00570   2.08093
   R36        2.55283   0.08484   0.00000   0.03512   0.03511   2.58794
   R37        2.07525  -0.01083   0.00000  -0.00565  -0.00565   2.06960
   R38        2.55436   0.05237   0.00000   0.02192   0.02192   2.57629
   R39        2.43805   0.13684   0.00000   0.05005   0.05005   2.48810
   R40        2.07563  -0.01184   0.00000  -0.00618  -0.00618   2.06945
   R41        2.43997   0.14072   0.00000   0.05248   0.05249   2.49246
   R42        2.44219   0.14011   0.00000   0.05242   0.05242   2.49461
   R43        2.43980   0.14213   0.00000   0.05302   0.05303   2.49283
   R44        2.44157   0.14058   0.00000   0.05258   0.05258   2.49416
   R45        2.44015   0.14079   0.00000   0.05254   0.05254   2.49269
   R46        2.43966   0.14107   0.00000   0.05262   0.05263   2.49229
   R47        2.54094   0.08453   0.00000   0.03471   0.03471   2.57565
   R48        2.54843   0.06376   0.00000   0.02665   0.02665   2.57508
   R49        2.51725   0.13209   0.00000   0.05190   0.05189   2.56914
   R50        2.53177   0.06616   0.00000   0.02711   0.02712   2.55888
   R51        2.54000   0.08609   0.00000   0.03533   0.03534   2.57534
   R52        2.53169   0.06616   0.00000   0.02711   0.02712   2.55881
   R53        2.55013   0.06296   0.00000   0.02636   0.02636   2.57649
   R54        2.54085   0.08496   0.00000   0.03489   0.03490   2.57575
   R55        2.54856   0.06413   0.00000   0.02681   0.02681   2.57537
   R56        2.51660   0.13200   0.00000   0.05186   0.05185   2.56845
   R57        2.53167   0.06650   0.00000   0.02725   0.02726   2.55893
   R58        2.54004   0.08614   0.00000   0.03537   0.03538   2.57542
   R59        2.53192   0.06633   0.00000   0.02719   0.02720   2.55912
   R60        2.55034   0.06320   0.00000   0.02647   0.02647   2.57681
   R61        2.54041   0.08537   0.00000   0.03504   0.03505   2.57546
   R62        2.54872   0.06364   0.00000   0.02661   0.02661   2.57533
   R63        2.51677   0.13252   0.00000   0.05206   0.05205   2.56882
   R64        2.53181   0.06619   0.00000   0.02712   0.02713   2.55894
   R65        2.54019   0.08543   0.00000   0.03508   0.03509   2.57528
   R66        2.53170   0.06634   0.00000   0.02718   0.02719   2.55890
   R67        2.54833   0.06419   0.00000   0.02683   0.02683   2.57516
   R68        2.53251   0.05893   0.00000   0.02402   0.02402   2.55652
   R69        2.08082  -0.00971   0.00000  -0.00509  -0.00509   2.07573
   R70        2.53376   0.07006   0.00000   0.02856   0.02855   2.56231
   R71        2.08360  -0.00981   0.00000  -0.00515  -0.00515   2.07845
   R72        2.54052   0.05459   0.00000   0.02249   0.02248   2.56300
   R73        2.08621  -0.01154   0.00000  -0.00607  -0.00607   2.08014
   R74        2.07580  -0.00938   0.00000  -0.00490  -0.00490   2.07090
   R75        2.54107   0.05395   0.00000   0.02224   0.02223   2.56330
   R76        2.07413  -0.00901   0.00000  -0.00470  -0.00470   2.06943
   R77        2.53384   0.07002   0.00000   0.02855   0.02854   2.56238
   R78        2.08603  -0.01123   0.00000  -0.00591  -0.00591   2.08013
   R79        2.53216   0.05917   0.00000   0.02411   0.02411   2.55627
   R80        2.08369  -0.00986   0.00000  -0.00518  -0.00518   2.07851
   R81        2.08064  -0.00964   0.00000  -0.00505  -0.00505   2.07559
   R82        2.53246   0.05869   0.00000   0.02392   0.02392   2.55637
   R83        2.08053  -0.00956   0.00000  -0.00501  -0.00501   2.07552
   R84        2.53370   0.07038   0.00000   0.02869   0.02868   2.56238
   R85        2.08354  -0.00975   0.00000  -0.00512  -0.00512   2.07842
   R86        2.54048   0.05454   0.00000   0.02246   0.02245   2.56294
   R87        2.08632  -0.01154   0.00000  -0.00607  -0.00607   2.08025
   R88        2.07607  -0.00953   0.00000  -0.00498  -0.00498   2.07109
   R89        2.54108   0.05404   0.00000   0.02227   0.02226   2.56334
   R90        2.07407  -0.00902   0.00000  -0.00471  -0.00471   2.06937
   R91        2.53377   0.07012   0.00000   0.02859   0.02858   2.56235
   R92        2.08607  -0.01108   0.00000  -0.00583  -0.00583   2.08024
   R93        2.53223   0.05903   0.00000   0.02405   0.02405   2.55628
   R94        2.08364  -0.00980   0.00000  -0.00514  -0.00514   2.07850
   R95        2.08073  -0.00966   0.00000  -0.00506  -0.00506   2.07567
   R96        2.53234   0.05920   0.00000   0.02412   0.02411   2.55646
   R97        2.08051  -0.00964   0.00000  -0.00505  -0.00505   2.07546
   R98        2.53388   0.06984   0.00000   0.02847   0.02846   2.56234
   R99        2.08376  -0.00988   0.00000  -0.00519  -0.00519   2.07857
   R100       2.54102   0.05411   0.00000   0.02230   0.02229   2.56331
   R101       2.08612  -0.01111   0.00000  -0.00584  -0.00584   2.08028
   R102       2.07486  -0.00890   0.00000  -0.00464  -0.00464   2.07022
   R103       2.54096   0.05395   0.00000   0.02223   0.02222   2.56318
   R104       2.07523  -0.00926   0.00000  -0.00483  -0.00483   2.07039
   R105       2.53404   0.07015   0.00000   0.02861   0.02860   2.56263
   R106       2.08605  -0.01120   0.00000  -0.00589  -0.00589   2.08016
   R107       2.53224   0.05913   0.00000   0.02409   0.02409   2.55633
   R108       2.08362  -0.00981   0.00000  -0.00515  -0.00515   2.07847
   R109       2.08054  -0.00959   0.00000  -0.00503  -0.00503   2.07551
   R110       5.61093  -0.00576   0.00000  -0.00455  -0.00455   5.60638
    A1        1.95416   0.01639   0.00000   0.00954   0.00955   1.96370
    A2        2.15960  -0.00632   0.00000  -0.00368  -0.00368   2.15592
    A3        2.16924  -0.01006   0.00000  -0.00586  -0.00586   2.16338
    A4        2.23401  -0.01651   0.00000  -0.00976  -0.00975   2.22426
    A5        1.99683   0.01162   0.00000   0.00713   0.00713   2.00396
    A6        2.04297   0.00485   0.00000   0.00263   0.00263   2.04560
    A7        2.03755   0.00529   0.00000   0.00328   0.00329   2.04084
    A8        2.16380  -0.00488   0.00000  -0.00332  -0.00333   2.16047
    A9        2.08069  -0.00036   0.00000   0.00008   0.00008   2.08078
   A10        2.05471   0.00116   0.00000   0.00074   0.00073   2.05544
   A11        2.10796  -0.00081   0.00000  -0.00003  -0.00002   2.10795
   A12        2.12050  -0.00035   0.00000  -0.00071  -0.00072   2.11978
   A13        2.13684  -0.00107   0.00000  -0.00053  -0.00053   2.13631
   A14        2.12971  -0.00790   0.00000  -0.00531  -0.00531   2.12440
   A15        2.01642   0.00896   0.00000   0.00585   0.00585   2.02227
   A16        2.14711  -0.00520   0.00000  -0.00323  -0.00324   2.14386
   A17        2.13550  -0.00242   0.00000  -0.00171  -0.00171   2.13379
   A18        1.99788   0.00759   0.00000   0.00492   0.00492   2.00280
   A19        2.09124   0.00109   0.00000   0.00036   0.00035   2.09159
   A20        2.14132  -0.00107   0.00000  -0.00055  -0.00055   2.14077
   A21        2.04953   0.00000   0.00000   0.00021   0.00022   2.04975
   A22        2.10905  -0.00216   0.00000  -0.00207  -0.00208   2.10697
   A23        2.03124   0.00683   0.00000   0.00435   0.00436   2.03559
   A24        2.14282  -0.00468   0.00000  -0.00229  -0.00228   2.14054
   A25        2.07637   0.01043   0.00000   0.00653   0.00653   2.08291
   A26        2.16014  -0.01467   0.00000  -0.00705  -0.00702   2.15312
   A27        2.04637   0.00423   0.00000   0.00051   0.00049   2.04685
   A28        2.10045  -0.00822   0.00000  -0.00489  -0.00489   2.09556
   A29        2.06700   0.01118   0.00000   0.00639   0.00639   2.07339
   A30        2.11532  -0.00295   0.00000  -0.00149  -0.00149   2.11383
   A31        2.23722  -0.01576   0.00000  -0.00940  -0.00939   2.22783
   A32        2.04456   0.00322   0.00000   0.00161   0.00161   2.04617
   A33        1.99242   0.01245   0.00000   0.00775   0.00774   2.00016
   A34        1.94599   0.01922   0.00000   0.01130   0.01130   1.95729
   A35        2.16159  -0.00638   0.00000  -0.00376  -0.00376   2.15783
   A36        2.17557  -0.01285   0.00000  -0.00754  -0.00754   2.16804
   A37        2.14872  -0.00754   0.00000  -0.00464  -0.00465   2.14407
   A38        2.13108  -0.00050   0.00000  -0.00051  -0.00050   2.13058
   A39        2.00031   0.00804   0.00000   0.00514   0.00515   2.00545
   A40        2.15175  -0.00269   0.00000  -0.00176  -0.00177   2.14997
   A41        2.14265  -0.00344   0.00000  -0.00228  -0.00228   2.14037
   A42        1.98863   0.00613   0.00000   0.00405   0.00406   1.99269
   A43        2.10134   0.02036   0.00000   0.00967   0.00965   2.11099
   A44        2.13490  -0.01475   0.00000  -0.00787  -0.00786   2.12704
   A45        1.59039  -0.00045   0.00000   0.00030   0.00030   1.59069
   A46        2.04159  -0.00539   0.00000  -0.00163  -0.00162   2.03997
   A47        1.68720   0.00031   0.00000   0.00052   0.00052   1.68771
   A48        2.08896  -0.00923   0.00000  -0.00628  -0.00629   2.08267
   A49        2.14707   0.00268   0.00000   0.00143   0.00143   2.14851
   A50        2.04710   0.00655   0.00000   0.00485   0.00486   2.05195
   A51        2.08826  -0.00070   0.00000   0.00102   0.00104   2.08929
   A52        2.09785  -0.00758   0.00000  -0.00430  -0.00430   2.09355
   A53        2.09693   0.00827   0.00000   0.00327   0.00325   2.10018
   A54        2.12493  -0.01169   0.00000  -0.00341  -0.00337   2.12156
   A55        2.11027  -0.00276   0.00000  -0.00184  -0.00185   2.10842
   A56        2.09605   0.00137   0.00000   0.00091   0.00092   2.09696
   A57        2.07647   0.00137   0.00000   0.00091   0.00092   2.07738
   A58        2.16639  -0.00275   0.00000  -0.00242  -0.00243   2.16395
   A59        1.98056   0.00732   0.00000   0.00515   0.00516   1.98572
   A60        2.13126  -0.00457   0.00000  -0.00273  -0.00272   2.12854
   A61        1.96736   0.01612   0.00000   0.00898   0.00898   1.97634
   A62        2.15761  -0.00974   0.00000  -0.00547  -0.00547   2.15214
   A63        2.15821  -0.00638   0.00000  -0.00351  -0.00351   2.15470
   A64        2.17737  -0.00959   0.00000  -0.00528  -0.00526   2.17211
   A65        1.98982   0.00489   0.00000   0.00270   0.00269   1.99251
   A66        2.11169   0.00470   0.00000   0.00258   0.00258   2.11427
   A67        2.21646  -0.00583   0.00000  -0.00471  -0.00472   2.21174
   A68        2.21076   0.00100   0.00000  -0.00073  -0.00074   2.21002
   A69        1.85596   0.00483   0.00000   0.00544   0.00546   1.86142
   A70        2.20886  -0.00410   0.00000  -0.00373  -0.00374   2.20512
   A71        2.21457   0.00022   0.00000  -0.00121  -0.00122   2.21334
   A72        1.85974   0.00388   0.00000   0.00495   0.00497   1.86471
   A73        2.21074  -0.00214   0.00000  -0.00258  -0.00259   2.20815
   A74        2.21399  -0.00248   0.00000  -0.00278  -0.00279   2.21120
   A75        1.85845   0.00462   0.00000   0.00536   0.00538   1.86383
   A76        1.93270  -0.01235   0.00000  -0.00642  -0.00642   1.92627
   A77        2.34060  -0.00501   0.00000  -0.00351  -0.00352   2.33708
   A78        2.00590   0.01730   0.00000   0.00989   0.00990   2.01580
   A79        1.85024   0.01036   0.00000   0.00393   0.00391   1.85415
   A80        2.17983  -0.02048   0.00000  -0.01077  -0.01075   2.16908
   A81        2.25305   0.01012   0.00000   0.00684   0.00684   2.25988
   A82        1.84766   0.01147   0.00000   0.00457   0.00455   1.85221
   A83        2.25622   0.00897   0.00000   0.00615   0.00615   2.26237
   A84        2.17927  -0.02044   0.00000  -0.01072  -0.01070   2.16857
   A85        1.93427  -0.01335   0.00000  -0.00701  -0.00700   1.92726
   A86        2.34005  -0.00363   0.00000  -0.00272  -0.00273   2.33732
   A87        2.00506   0.01691   0.00000   0.00967   0.00968   2.01474
   A88        1.93566  -0.01279   0.00000  -0.00671  -0.00671   1.92895
   A89        2.33853  -0.00426   0.00000  -0.00307  -0.00308   2.33546
   A90        2.00500   0.01699   0.00000   0.00974   0.00975   2.01474
   A91        1.84921   0.01042   0.00000   0.00401   0.00399   1.85320
   A92        2.18057  -0.02057   0.00000  -0.01083  -0.01081   2.16977
   A93        2.25334   0.01015   0.00000   0.00682   0.00681   2.26015
   A94        1.84697   0.01127   0.00000   0.00452   0.00450   1.85147
   A95        2.25587   0.00912   0.00000   0.00620   0.00620   2.26207
   A96        2.18030  -0.02039   0.00000  -0.01072  -0.01070   2.16960
   A97        1.93679  -0.01373   0.00000  -0.00725  -0.00724   1.92955
   A98        2.33900  -0.00328   0.00000  -0.00251  -0.00252   2.33648
   A99        2.00351   0.01693   0.00000   0.00970   0.00971   2.01322
   A100       1.93444  -0.01318   0.00000  -0.00693  -0.00692   1.92752
   A101       2.33833  -0.00436   0.00000  -0.00313  -0.00314   2.33519
   A102       2.00623   0.01748   0.00000   0.01002   0.01003   2.01625
   A103       1.84856   0.01097   0.00000   0.00429   0.00428   1.85284
   A104       2.17978  -0.02078   0.00000  -0.01094  -0.01091   2.16887
   A105       2.25478   0.00981   0.00000   0.00664   0.00663   2.26141
   A106       1.84832   0.01082   0.00000   0.00422   0.00420   1.85253
   A107       2.25541   0.00986   0.00000   0.00665   0.00665   2.26205
   A108       2.17941  -0.02068   0.00000  -0.01087  -0.01085   2.16856
   A109       1.93487  -0.01322   0.00000  -0.00693  -0.00693   1.92794
   A110       2.33714  -0.00356   0.00000  -0.00269  -0.00270   2.33444
   A111       2.00713   0.01672   0.00000   0.00958   0.00959   2.01672
   A112       2.06454   0.00512   0.00000   0.00293   0.00294   2.06748
   A113       2.12854  -0.00613   0.00000  -0.00382  -0.00383   2.12472
   A114       2.09004   0.00100   0.00000   0.00089   0.00089   2.09093
   A115       2.07746   0.00449   0.00000   0.00224   0.00223   2.07969
   A116       2.10213  -0.00208   0.00000  -0.00101  -0.00100   2.10113
   A117       2.10271  -0.00238   0.00000  -0.00121  -0.00121   2.10150
   A118       2.11078   0.00378   0.00000   0.00190   0.00188   2.11265
   A119       2.07923   0.00130   0.00000   0.00116   0.00117   2.08040
   A120       2.09265  -0.00504   0.00000  -0.00303  -0.00302   2.08963
   A121       2.12511  -0.00986   0.00000  -0.00602  -0.00602   2.11909
   A122       2.16233  -0.00069   0.00000  -0.00071  -0.00071   2.16162
   A123       1.99453   0.01055   0.00000   0.00673   0.00673   2.00126
   A124       2.12382  -0.01010   0.00000  -0.00616  -0.00617   2.11765
   A125       2.16188  -0.00042   0.00000  -0.00054  -0.00054   2.16134
   A126       1.99610   0.01052   0.00000   0.00670   0.00670   2.00280
   A127       2.11221   0.00369   0.00000   0.00186   0.00185   2.11406
   A128       2.09286  -0.00508   0.00000  -0.00307  -0.00306   2.08980
   A129       2.07756   0.00141   0.00000   0.00123   0.00123   2.07879
   A130       2.07729   0.00451   0.00000   0.00227   0.00226   2.07955
   A131       2.10323  -0.00246   0.00000  -0.00127  -0.00127   2.10196
   A132       2.10178  -0.00202   0.00000  -0.00098  -0.00097   2.10081
   A133       2.06372   0.00508   0.00000   0.00290   0.00290   2.06662
   A134       2.12900  -0.00608   0.00000  -0.00379  -0.00380   2.12520
   A135       2.09036   0.00100   0.00000   0.00090   0.00089   2.09125
   A136       2.06439   0.00513   0.00000   0.00294   0.00295   2.06734
   A137       2.12864  -0.00613   0.00000  -0.00383  -0.00383   2.12481
   A138       2.09008   0.00100   0.00000   0.00089   0.00088   2.09097
   A139       2.07708   0.00443   0.00000   0.00221   0.00220   2.07928
   A140       2.10223  -0.00206   0.00000  -0.00100  -0.00099   2.10124
   A141       2.10297  -0.00235   0.00000  -0.00119  -0.00119   2.10178
   A142       2.11077   0.00394   0.00000   0.00200   0.00198   2.11275
   A143       2.07902   0.00125   0.00000   0.00114   0.00115   2.08017
   A144       2.09286  -0.00517   0.00000  -0.00311  -0.00310   2.08976
   A145       2.12604  -0.01004   0.00000  -0.00612  -0.00613   2.11992
   A146       2.16237  -0.00072   0.00000  -0.00074  -0.00073   2.16164
   A147       1.99356   0.01074   0.00000   0.00685   0.00685   2.00041
   A148       2.12430  -0.00986   0.00000  -0.00601  -0.00602   2.11828
   A149       2.16172  -0.00072   0.00000  -0.00073  -0.00073   2.16099
   A150       1.99577   0.01059   0.00000   0.00675   0.00676   2.00253
   A151       2.11236   0.00369   0.00000   0.00185   0.00183   2.11419
   A152       2.09279  -0.00498   0.00000  -0.00300  -0.00299   2.08980
   A153       2.07748   0.00132   0.00000   0.00117   0.00118   2.07866
   A154       2.07691   0.00443   0.00000   0.00221   0.00220   2.07911
   A155       2.10347  -0.00242   0.00000  -0.00124  -0.00124   2.10223
   A156       2.10194  -0.00199   0.00000  -0.00095  -0.00095   2.10100
   A157       2.06369   0.00531   0.00000   0.00304   0.00305   2.06674
   A158       2.12910  -0.00622   0.00000  -0.00388  -0.00388   2.12521
   A159       2.09030   0.00091   0.00000   0.00084   0.00083   2.09113
   A160       2.06333   0.00548   0.00000   0.00314   0.00315   2.06648
   A161       2.12897  -0.00626   0.00000  -0.00390  -0.00390   2.12506
   A162       2.09078   0.00078   0.00000   0.00076   0.00075   2.09153
   A163       2.07778   0.00446   0.00000   0.00221   0.00220   2.07999
   A164       2.10147  -0.00195   0.00000  -0.00092  -0.00091   2.10056
   A165       2.10306  -0.00248   0.00000  -0.00127  -0.00127   2.10180
   A166       2.11216   0.00355   0.00000   0.00175   0.00173   2.11390
   A167       2.07779   0.00130   0.00000   0.00116   0.00117   2.07896
   A168       2.09267  -0.00483   0.00000  -0.00289  -0.00288   2.08978
   A169       2.12294  -0.00956   0.00000  -0.00582  -0.00583   2.11711
   A170       2.15991  -0.00031   0.00000  -0.00046  -0.00045   2.15946
   A171       1.99891   0.00987   0.00000   0.00628   0.00629   2.00519
   A172       2.12348  -0.01024   0.00000  -0.00624  -0.00625   2.11723
   A173       2.16073  -0.00041   0.00000  -0.00054  -0.00053   2.16020
   A174       1.99750   0.01065   0.00000   0.00678   0.00679   2.00429
   A175       2.11209   0.00381   0.00000   0.00192   0.00190   2.11399
   A176       2.09272  -0.00509   0.00000  -0.00306  -0.00305   2.08966
   A177       2.07780   0.00130   0.00000   0.00117   0.00118   2.07898
   A178       2.07755   0.00460   0.00000   0.00231   0.00230   2.07985
   A179       2.10303  -0.00247   0.00000  -0.00127  -0.00127   2.10176
   A180       2.10168  -0.00209   0.00000  -0.00102  -0.00101   2.10067
   A181       2.06345   0.00513   0.00000   0.00293   0.00294   2.06639
   A182       2.12900  -0.00609   0.00000  -0.00380  -0.00380   2.12519
   A183       2.09062   0.00096   0.00000   0.00086   0.00086   2.09148
    D1        0.02439  -0.00054   0.00000  -0.00044  -0.00044   0.02395
    D2       -2.96476  -0.00099   0.00000  -0.00093  -0.00093  -2.96569
    D3       -3.13713  -0.00039   0.00000  -0.00028  -0.00028  -3.13741
    D4        0.15690  -0.00084   0.00000  -0.00077  -0.00077   0.15613
    D5        0.01634  -0.00028   0.00000  -0.00024  -0.00024   0.01610
    D6       -3.04188  -0.00012   0.00000  -0.00009  -0.00010  -3.04198
    D7       -3.10519  -0.00049   0.00000  -0.00044  -0.00043  -3.10562
    D8        0.11978  -0.00032   0.00000  -0.00029  -0.00029   0.11948
    D9       -2.70496   0.00834   0.00000   0.00685   0.00685  -2.69811
   D10        0.43496   0.00860   0.00000   0.00706   0.00706   0.44203
   D11        0.41426   0.00881   0.00000   0.00721   0.00721   0.42146
   D12       -2.72901   0.00907   0.00000   0.00742   0.00742  -2.72158
   D13       -0.06638   0.00129   0.00000   0.00098   0.00098  -0.06540
   D14        3.12702   0.00010   0.00000  -0.00003  -0.00003   3.12699
   D15        2.91931   0.00220   0.00000   0.00178   0.00178   2.92109
   D16       -0.17048   0.00100   0.00000   0.00077   0.00077  -0.16970
   D17        0.06469  -0.00047   0.00000  -0.00047  -0.00047   0.06422
   D18       -3.07184  -0.00041   0.00000  -0.00039  -0.00039  -3.07223
   D19       -3.12612   0.00051   0.00000   0.00038   0.00038  -3.12574
   D20        0.02054   0.00057   0.00000   0.00046   0.00046   0.02099
   D21        3.05053   0.00048   0.00000   0.00045   0.00045   3.05098
   D22       -0.14269   0.00112   0.00000   0.00097   0.00097  -0.14172
   D23       -0.03806  -0.00089   0.00000  -0.00066  -0.00066  -0.03872
   D24        3.05191  -0.00025   0.00000  -0.00015  -0.00014   3.05176
   D25       -0.03075   0.00044   0.00000   0.00029   0.00029  -0.03046
   D26        3.08785   0.00059   0.00000   0.00044   0.00044   3.08829
   D27        3.10574   0.00038   0.00000   0.00021   0.00021   3.10595
   D28       -0.05884   0.00053   0.00000   0.00036   0.00036  -0.05848
   D29        0.00669   0.00007   0.00000   0.00007   0.00007   0.00676
   D30        3.11791   0.00049   0.00000   0.00038   0.00038   3.11829
   D31       -3.12965   0.00013   0.00000   0.00015   0.00015  -3.12950
   D32       -0.01843   0.00055   0.00000   0.00046   0.00046  -0.01797
   D33       -0.01255   0.00046   0.00000   0.00035   0.00035  -0.01220
   D34        3.05168  -0.00008   0.00000  -0.00004  -0.00004   3.05164
   D35       -3.13254   0.00052   0.00000   0.00034   0.00034  -3.13221
   D36       -0.06832  -0.00002   0.00000  -0.00005  -0.00006  -0.06837
   D37        0.02897   0.00029   0.00000   0.00019   0.00019   0.02916
   D38       -3.12589  -0.00040   0.00000  -0.00041  -0.00041  -3.12629
   D39       -3.06368  -0.00028   0.00000  -0.00028  -0.00028  -3.06395
   D40        0.06466  -0.00097   0.00000  -0.00087  -0.00088   0.06378
   D41        3.12733   0.00108   0.00000   0.00081   0.00081   3.12813
   D42       -0.16730   0.00156   0.00000   0.00123   0.00123  -0.16607
   D43       -0.06473   0.00174   0.00000   0.00132   0.00132  -0.06341
   D44        2.92383   0.00221   0.00000   0.00174   0.00174   2.92558
   D45       -0.00173   0.00054   0.00000   0.00043   0.00043  -0.00130
   D46        3.11279   0.00028   0.00000   0.00020   0.00021   3.11299
   D47       -3.12920   0.00118   0.00000   0.00102   0.00102  -3.12818
   D48       -0.01468   0.00092   0.00000   0.00079   0.00079  -0.01389
   D49       -0.03343   0.00076   0.00000   0.00057   0.00057  -0.03286
   D50        3.08779   0.00134   0.00000   0.00109   0.00109   3.08887
   D51        3.09462   0.00008   0.00000  -0.00003  -0.00004   3.09458
   D52       -0.06734   0.00066   0.00000   0.00048   0.00048  -0.06687
   D53       -0.01612  -0.00075   0.00000  -0.00058  -0.00058  -0.01670
   D54       -3.12649  -0.00143   0.00000  -0.00103  -0.00103  -3.12752
   D55       -3.13240  -0.00021   0.00000  -0.00024  -0.00024  -3.13264
   D56        0.04042  -0.00089   0.00000  -0.00069  -0.00069   0.03973
   D57        3.11738   0.00031   0.00000   0.00040   0.00040   3.11778
   D58        0.09025  -0.00167   0.00000  -0.00137  -0.00137   0.08888
   D59       -1.44832   0.00257   0.00000   0.00223   0.00223  -1.44609
   D60       -0.05085   0.00015   0.00000   0.00027   0.00027  -0.05058
   D61       -3.07799  -0.00183   0.00000  -0.00150  -0.00150  -3.07948
   D62        1.66664   0.00241   0.00000   0.00209   0.00210   1.66873
   D63       -3.13416   0.00008   0.00000   0.00005   0.00004  -3.13411
   D64       -0.02321   0.00041   0.00000   0.00030   0.00029  -0.02291
   D65        0.02269  -0.00045   0.00000  -0.00039  -0.00039   0.02230
   D66       -3.12746  -0.00071   0.00000  -0.00057  -0.00057  -3.12803
   D67       -2.96969  -0.00033   0.00000  -0.00040  -0.00040  -2.97009
   D68        0.16334  -0.00058   0.00000  -0.00058  -0.00058   0.16277
   D69        0.01502  -0.00037   0.00000  -0.00033  -0.00033   0.01469
   D70       -3.03776  -0.00067   0.00000  -0.00055  -0.00055  -3.03832
   D71       -3.11793  -0.00016   0.00000  -0.00017  -0.00017  -3.11811
   D72        0.11247  -0.00045   0.00000  -0.00040  -0.00040   0.11207
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   D294      -3.09436  -0.00027   0.00000  -0.00014  -0.00014  -3.09450
   D295       3.12614   0.00034   0.00000   0.00033   0.00033   3.12648
   D296       0.00117   0.00041   0.00000   0.00038   0.00038   0.00155
         Item               Value     Threshold  Converged?
 Maximum Force            0.142135     0.000450     NO 
 RMS     Force            0.030822     0.000300     NO 
 Maximum Displacement     0.284564     0.001800     NO 
 RMS     Displacement     0.072715     0.001200     NO 
 Predicted change in Energy=-1.975259D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.883760    2.807127    0.072527
      2          6           0       -2.099735    1.467591   -0.064921
      3          6           0       -1.164986    0.471909   -0.068078
      4          6           0        0.145115    0.852837    0.003646
      5          6           0        0.412573    2.178603    0.149170
      6          6           0       -0.561211    3.113056    0.188629
      7          6           0       -1.471419   -0.869403   -0.196951
      8          6           0       -0.463804   -1.792324   -0.296844
      9          6           0        0.851926   -1.403793   -0.236226
     10          6           0        1.153290   -0.077614   -0.075588
     11          6           0       -2.753458   -1.337840   -0.172143
     12          6           0       -3.171027   -2.629421   -0.303605
     13          6           0       -2.128804   -3.493590   -0.447912
     14          6           0       -0.839788   -3.093690   -0.439874
     15          7           0        1.865140   -2.253169   -0.295406
     16          6           0        3.113135   -1.824725   -0.259459
     17          6           0        3.356647   -0.497206   -0.107551
     18          7           0        2.373197    0.325650   -0.029885
     19          6           0        4.183570   -2.652491   -0.354581
     20          6           0        5.442753   -2.163751   -0.307678
     21          6           0        5.743542   -0.836496   -0.154754
     22          6           0        4.639541   -0.042204   -0.060415
     23          7           0       -2.848901    3.703933    0.068864
     24          7           0       -4.436585   -2.992598   -0.281967
     25          7           0        6.975832   -0.375440   -0.105224
     26          6           0       -4.903874   -4.178562    0.057557
     27          6           0       -6.263729   -4.196302   -0.032926
     28          6           0       -6.634412   -2.950548   -0.431696
     29          6           0       -5.479736   -2.243317   -0.585973
     30          6           0       -2.742985    4.975182   -0.266315
     31          6           0       -3.947853    5.601850   -0.150439
     32          6           0       -4.829708    4.653748    0.262795
     33          6           0       -4.111281    3.503659    0.398911
     34          6           0        7.375408    0.734830    0.484350
     35          6           0        8.719672    0.898202    0.330434
     36          6           0        9.153577   -0.180078   -0.374480
     37          6           0        8.048347   -0.935140   -0.630433
     38          6           0       -7.871397   -2.449194   -0.659735
     39          6           0       -7.979392   -1.173699   -1.097528
     40          6           0       -6.851874   -0.457421   -1.330235
     41          6           0       -5.625504   -0.989157   -1.100511
     42          6           0       -4.334618   -5.310090    0.560017
     43          6           0       -5.079401   -6.406932    0.846663
     44          6           0       -6.425044   -6.403647    0.679784
     45          6           0       -7.032876   -5.274368    0.249531
     46          6           0       -6.155266    4.760508    0.518576
     47          6           0       -6.814938    3.668239    0.967778
     48          6           0       -6.123518    2.522064    1.184186
     49          6           0       -4.794022    2.447839    0.926625
     50          6           0       -1.736237    5.733511   -0.784670
     51          6           0       -1.914595    7.049117   -1.062809
     52          6           0       -3.115033    7.649749   -0.871101
     53          6           0       -4.156590    6.911578   -0.423744
     54          6           0       10.404693   -0.497094   -0.784142
     55          6           0       10.575302   -1.617393   -1.523021
     56          6           0        9.491474   -2.361094   -1.855854
     57          6           0        8.248922   -2.016931   -1.434483
     58          6           0        6.758466    1.657601    1.274994
     59          6           0        7.435288    2.719890    1.778200
     60          6           0        8.761291    2.880872    1.544168
     61          6           0        9.421723    1.946111    0.823069
     62          1           0       -3.118997    1.194136   -0.331869
     63          1           0        1.440673    2.551898    0.263377
     64          1           0       -0.212771    4.129687    0.397893
     65          1           0       -3.534857   -0.635803    0.112462
     66          1           0       -2.280389   -4.557075   -0.660741
     67          1           0       -0.115730   -3.907502   -0.577167
     68          1           0        1.723389   -3.253368   -0.467857
     69          1           0        4.035531   -3.740169   -0.441959
     70          1           0        6.216931   -2.938344   -0.298525
     71          1           0        4.727488    1.049087   -0.035804
     72          1           0       -8.776431   -3.053187   -0.509233
     73          1           0       -8.968134   -0.737629   -1.302316
     74          1           0       -6.937321    0.559772   -1.742173
     75          1           0       -4.786866   -0.353812   -1.407043
     76          1           0       -3.273103   -5.397326    0.814601
     77          1           0       -4.592474   -7.306532    1.253217
     78          1           0       -7.019798   -7.294089    0.931099
     79          1           0       -8.126517   -5.245948    0.151942
     80          1           0       -6.695754    5.706814    0.381895
     81          1           0       -7.889701    3.721710    1.195168
     82          1           0       -6.647476    1.650546    1.605763
     83          1           0       -4.323729    1.503200    1.222663
     84          1           0       -0.753386    5.336269   -1.059188
     85          1           0       -1.083297    7.636032   -1.482657
     86          1           0       -3.251493    8.713397   -1.115634
     87          1           0       -5.144516    7.376750   -0.305039
     88          1           0       11.269314    0.136304   -0.544427
     89          1           0       11.575625   -1.898039   -1.884185
     90          1           0        9.623663   -3.239080   -2.506625
     91          1           0        7.438592   -2.636883   -1.833445
     92          1           0        5.714858    1.581137    1.599627
     93          1           0        6.911557    3.448587    2.415697
     94          1           0        9.302239    3.737907    1.971490
     95          1           0       10.504249    2.042534    0.664548
     96         17           0        1.629504   -2.814150    2.464714
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0528755           0.0202567           0.0152109
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      8182.2272680686 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  8.27D-05  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999998    0.000502   -0.000189   -0.001896 Ang=   0.23 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.27012465     A.U. after   16 cycles
            NFock= 16  Conv=0.55D-08     -V/T= 2.0051
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.055983939   -0.036806265    0.001155493
      2        6          -0.060746617   -0.030605367   -0.018288935
      3        6          -0.011377595    0.035214412    0.001231075
      4        6          -0.015388196    0.015192306    0.003636733
      5        6           0.032162312    0.039658464    0.005815777
      6        6           0.018484686    0.061746924    0.016496044
      7        6          -0.013927057   -0.030354283   -0.000702712
      8        6           0.002117042   -0.019208148   -0.004933181
      9        6           0.010271888   -0.017754059   -0.003178981
     10        6           0.023195038   -0.000557366    0.001259400
     11        6          -0.059557241    0.029199783    0.015664064
     12        6           0.052631703    0.037889407    0.000321229
     13        6           0.023039792   -0.063588061   -0.016546179
     14        6           0.032030144   -0.038267535   -0.004339890
     15        7          -0.008181921   -0.034495258   -0.011396172
     16        6           0.016630446   -0.026084957   -0.002427639
     17        6           0.016002209   -0.000921112    0.002863840
     18        7          -0.020589828    0.072462278    0.006555684
     19        6           0.018719623   -0.047782988   -0.006152824
     20        6           0.042889918   -0.054894728    0.003912385
     21        6          -0.062599449   -0.019230223   -0.002915134
     22        6           0.011872318    0.066023362   -0.003236781
     23        7           0.011190444   -0.008298897    0.001514359
     24        7           0.016101829    0.010160601   -0.000663318
     25        7          -0.011659781   -0.009776836    0.000027658
     26        6           0.016129155   -0.073165738    0.026933081
     27        6          -0.012273904   -0.027741282    0.003088639
     28        6          -0.029581004    0.002781992   -0.002556438
     29        6          -0.054290044    0.050861791   -0.026607068
     30        6           0.016701478    0.071985085   -0.026648051
     31        6          -0.013352220    0.027031448   -0.003415833
     32        6          -0.029507347   -0.003381496    0.001533046
     33        6          -0.052923732   -0.052137801    0.025366301
     34        6          -0.020588903    0.064445082    0.041352013
     35        6           0.010287677    0.027358867    0.007142629
     36        6           0.029982565    0.000663622   -0.004816355
     37        6           0.055572741   -0.039718733   -0.038952566
     38        6          -0.039522935   -0.023962764    0.001841616
     39        6          -0.053571843    0.002188040   -0.008473671
     40        6          -0.012329131    0.040772507   -0.019507660
     41        6           0.038124532    0.053553485   -0.017338481
     42        6           0.066170165    0.006360758    0.016243575
     43        6           0.029680228   -0.030296760    0.018607822
     44        6          -0.024403464   -0.047553721    0.009578684
     45        6          -0.040166966   -0.022527880   -0.000817217
     46        6          -0.040190558    0.022479368   -0.003034946
     47        6          -0.053890681   -0.003457568    0.006705305
     48        6          -0.011526523   -0.041000096    0.019110041
     49        6           0.038986381   -0.052976139    0.018612674
     50        6           0.066358464   -0.003956775   -0.014625154
     51        6           0.029479583    0.030912919   -0.017845687
     52        6          -0.025684736    0.046881797   -0.010417499
     53        6          -0.040580641    0.021626744   -0.000610384
     54        6           0.037262894    0.026358207    0.003596397
     55        6           0.052871283    0.004383834   -0.012336660
     56        6           0.013541609   -0.035577429   -0.027044641
     57        6          -0.034438970   -0.052395438   -0.024922931
     58        6          -0.064221142   -0.015343409    0.018663137
     59        6          -0.030308709    0.023188124    0.026072739
     60        6           0.021291877    0.047009012    0.016901388
     61        6           0.038041715    0.025889982    0.001114490
     62        1           0.004669937   -0.000684834    0.004822016
     63        1          -0.004897234   -0.012426264   -0.002067644
     64        1          -0.005484739   -0.007757235   -0.002346357
     65        1           0.005606023    0.001486524   -0.004471334
     66        1          -0.005194809    0.007910518    0.002748316
     67        1          -0.003943906    0.007801146    0.002321522
     68        1          -0.005977997    0.009509511    0.010049866
     69        1          -0.001126702    0.009156497    0.001730081
     70        1          -0.004463889    0.009507984   -0.000607271
     71        1           0.002070532   -0.009168762    0.001636656
     72        1           0.007716212    0.003990993   -0.000170143
     73        1           0.008072273   -0.000921189    0.002628118
     74        1           0.005261147   -0.007401283    0.004449149
     75        1          -0.000467728   -0.008044260    0.005406587
     76        1          -0.007219828    0.003414246   -0.004802426
     77        1          -0.003798451    0.008165143   -0.004192781
     78        1           0.003198575    0.007466170   -0.002756589
     79        1           0.007237396    0.004691211   -0.000051850
     80        1           0.007737577   -0.003672530    0.000408431
     81        1           0.008078805    0.001151590   -0.002344143
     82        1           0.005231872    0.007590926   -0.004186319
     83        1          -0.000488606    0.008211430   -0.005341558
     84        1          -0.007165272   -0.003663141    0.005015525
     85        1          -0.003664503   -0.008103251    0.004134649
     86        1           0.003317527   -0.007304180    0.002918207
     87        1           0.007380469   -0.004494229    0.000328747
     88        1          -0.007280727   -0.004588039   -0.000368349
     89        1          -0.007941557   -0.000402020    0.003262333
     90        1          -0.005303313    0.005821013    0.005852133
     91        1           0.000483896    0.006590444    0.006279324
     92        1           0.006999478   -0.001589875   -0.006360434
     93        1           0.004107378   -0.006818305   -0.005891573
     94        1          -0.002802143   -0.007008477   -0.003999355
     95        1          -0.006794446   -0.005222856   -0.000493886
     96       17           0.000422214   -0.003655702   -0.001703977
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.073165738 RMS     0.024985449

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.100244067 RMS     0.022047192
 Search for a local minimum.
 Step number   2 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -1.92D-01 DEPred=-1.98D-01 R= 9.71D-01
 TightC=F SS=  1.41D+00  RLast= 3.01D-01 DXNew= 5.0454D-01 9.0318D-01
 Trust test= 9.71D-01 RLast= 3.01D-01 DXMaxT set to 5.05D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.600 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  2.00000.
 Iteration  1 RMS(Cart)=  0.14458653 RMS(Int)=  0.00034705
 Iteration  2 RMS(Cart)=  0.00135478 RMS(Int)=  0.00003973
 Iteration  3 RMS(Cart)=  0.00000065 RMS(Int)=  0.00003973
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.57717   0.04284   0.05147   0.00000   0.05148   2.62865
    R2        2.57461   0.05569   0.06465   0.00000   0.06463   2.63925
    R3        2.48969   0.09598   0.10087   0.00000   0.10087   2.59056
    R4        2.58081   0.04126   0.04914   0.00000   0.04917   2.62998
    R5        2.05705  -0.00485  -0.00675   0.00000  -0.00675   2.05030
    R6        2.58182   0.05981   0.07117   0.00000   0.07126   2.65308
    R7        2.61140   0.07698   0.09078   0.00000   0.09080   2.70220
    R8        2.57056   0.04666   0.05334   0.00000   0.05333   2.62389
    R9        2.59687   0.07721   0.09121   0.00000   0.09126   2.68813
   R10        2.55149   0.03592   0.03991   0.00000   0.03988   2.59137
   R11        2.07817  -0.01121  -0.01445   0.00000  -0.01445   2.06372
   R12        2.06901  -0.00845  -0.01083   0.00000  -0.01083   2.05818
   R13        2.58903   0.06061   0.07100   0.00000   0.07096   2.65998
   R14        2.57979   0.03898   0.04645   0.00000   0.04647   2.62626
   R15        2.59504   0.06044   0.06924   0.00000   0.06918   2.66422
   R16        2.57404   0.04988   0.05644   0.00000   0.05642   2.63045
   R17        2.58787   0.06628   0.07578   0.00000   0.07572   2.66359
   R18        2.50097   0.03532   0.03724   0.00000   0.03713   2.53811
   R19        2.42952   0.06136   0.06319   0.00000   0.06324   2.49276
   R20        2.57712   0.04523   0.05466   0.00000   0.05469   2.63181
   R21        2.05663  -0.00519  -0.00722   0.00000  -0.00722   2.04941
   R22        2.57297   0.05637   0.06540   0.00000   0.06540   2.63837
   R23        2.48842   0.09283   0.09752   0.00000   0.09752   2.58595
   R24        2.55046   0.03267   0.03609   0.00000   0.03606   2.58652
   R25        2.06947  -0.00879  -0.01116   0.00000  -0.01116   2.05830
   R26        2.07474  -0.00783  -0.00953   0.00000  -0.00953   2.06521
   R27        2.49440   0.04990   0.05112   0.00000   0.05106   2.54546
   R28        1.93661  -0.00974  -0.01145   0.00000  -0.01145   1.92516
   R29        5.34110   0.00446   0.00669   0.00000   0.00668   5.34779
   R30        2.56661   0.06855   0.07889   0.00000   0.07899   2.64559
   R31        2.56340   0.05008   0.05657   0.00000   0.05656   2.61996
   R32        2.42762   0.08080   0.07975   0.00000   0.07986   2.50747
   R33        2.57382   0.05186   0.06067   0.00000   0.06073   2.63455
   R34        2.55400   0.03070   0.03468   0.00000   0.03462   2.58862
   R35        2.08093  -0.00931  -0.01139   0.00000  -0.01139   2.06954
   R36        2.58794   0.06049   0.07022   0.00000   0.07017   2.65811
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   A23        2.03559   0.00579   0.00871   0.00000   0.00874   2.04433
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   A27        2.04685   0.00216   0.00097   0.00000   0.00085   2.04770
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   A31        2.22783  -0.01479  -0.01879   0.00000  -0.01875   2.20908
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   A49        2.14851   0.00145   0.00286   0.00000   0.00284   2.15135
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   A53        2.10018   0.00418   0.00650   0.00000   0.00636   2.10655
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   A162       2.09153   0.00119   0.00151   0.00000   0.00148   2.09301
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   A167       2.07896   0.00135   0.00234   0.00000   0.00240   2.08136
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   A169       2.11711  -0.00909  -0.01166   0.00000  -0.01170   2.10540
   A170       2.15946  -0.00069  -0.00090   0.00000  -0.00088   2.15857
   A171       2.00519   0.00978   0.01257   0.00000   0.01260   2.01779
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   A177       2.07898   0.00135   0.00235   0.00000   0.00241   2.08139
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    D5        0.01610  -0.00009  -0.00048   0.00000  -0.00047   0.01563
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    D9       -2.69811   0.00675   0.01370   0.00000   0.01370  -2.68441
   D10        0.44203   0.00677   0.01413   0.00000   0.01413   0.45615
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   D12       -2.72158   0.00731   0.01484   0.00000   0.01484  -2.70675
   D13       -0.06540   0.00112   0.00195   0.00000   0.00194  -0.06346
   D14        3.12699  -0.00002  -0.00006   0.00000  -0.00007   3.12691
   D15        2.92109   0.00231   0.00356   0.00000   0.00357   2.92466
   D16       -0.16970   0.00117   0.00155   0.00000   0.00155  -0.16815
   D17        0.06422  -0.00033  -0.00094   0.00000  -0.00096   0.06326
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   D19       -3.12574   0.00057   0.00075   0.00000   0.00074  -3.12500
   D20        0.02099   0.00063   0.00092   0.00000   0.00091   0.02190
   D21        3.05098   0.00034   0.00090   0.00000   0.00090   3.05188
   D22       -0.14172   0.00095   0.00194   0.00000   0.00195  -0.13977
   D23       -0.03872  -0.00095  -0.00133   0.00000  -0.00132  -0.04004
   D24        3.05176  -0.00034  -0.00029   0.00000  -0.00027   3.05149
   D25       -0.03046   0.00038   0.00057   0.00000   0.00056  -0.02991
   D26        3.08829   0.00056   0.00088   0.00000   0.00087   3.08917
   D27        3.10595   0.00032   0.00041   0.00000   0.00040   3.10635
   D28       -0.05848   0.00050   0.00072   0.00000   0.00071  -0.05776
   D29        0.00676   0.00009   0.00015   0.00000   0.00014   0.00690
   D30        3.11829   0.00040   0.00076   0.00000   0.00075   3.11904
   D31       -3.12950   0.00015   0.00030   0.00000   0.00030  -3.12919
   D32       -0.01797   0.00046   0.00092   0.00000   0.00091  -0.01706
   D33       -0.01220   0.00026   0.00070   0.00000   0.00070  -0.01150
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   D35       -3.13221   0.00028   0.00067   0.00000   0.00066  -3.13155
   D36       -0.06837   0.00006  -0.00011   0.00000  -0.00012  -0.06849
   D37        0.02916   0.00030   0.00038   0.00000   0.00038   0.02954
   D38       -3.12629  -0.00034  -0.00081   0.00000  -0.00083  -3.12712
   D39       -3.06395  -0.00017  -0.00056   0.00000  -0.00057  -3.06452
   D40        0.06378  -0.00081  -0.00175   0.00000  -0.00178   0.06200
   D41        3.12813   0.00093   0.00161   0.00000   0.00158   3.12972
   D42       -0.16607   0.00167   0.00246   0.00000   0.00246  -0.16361
   D43       -0.06341   0.00151   0.00264   0.00000   0.00261  -0.06080
   D44        2.92558   0.00226   0.00348   0.00000   0.00349   2.92906
   D45       -0.00130   0.00056   0.00086   0.00000   0.00087  -0.00043
   D46        3.11299   0.00033   0.00041   0.00000   0.00041   3.11341
   D47       -3.12818   0.00118   0.00203   0.00000   0.00204  -3.12615
   D48       -0.01389   0.00094   0.00158   0.00000   0.00158  -0.01231
   D49       -0.03286   0.00071   0.00114   0.00000   0.00113  -0.03174
   D50        3.08887   0.00130   0.00217   0.00000   0.00216   3.09104
   D51        3.09458   0.00005  -0.00007   0.00000  -0.00010   3.09448
   D52       -0.06687   0.00064   0.00095   0.00000   0.00094  -0.06593
   D53       -0.01670  -0.00078  -0.00116   0.00000  -0.00116  -0.01786
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   D56        0.03973  -0.00077  -0.00138   0.00000  -0.00137   0.03835
   D57        3.11778   0.00029   0.00080   0.00000   0.00079   3.11857
   D58        0.08888  -0.00148  -0.00273   0.00000  -0.00271   0.08617
   D59       -1.44609   0.00275   0.00446   0.00000   0.00447  -1.44162
   D60       -0.05058   0.00016   0.00054   0.00000   0.00053  -0.05005
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   D62        1.66873   0.00263   0.00419   0.00000   0.00421   1.67295
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   D72        0.11207  -0.00066  -0.00080   0.00000  -0.00080   0.11127
   D73       -2.70197   0.00671   0.01343   0.00000   0.01343  -2.68854
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   D75        0.42984   0.00670   0.01322   0.00000   0.01323   0.44307
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   D77       -0.00849   0.00015   0.00050   0.00000   0.00050  -0.00800
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   D79        3.05035   0.00036   0.00048   0.00000   0.00048   3.05083
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   D81        0.04472   0.00028   0.00019   0.00000   0.00020   0.04492
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   D83        3.07904   0.00135   0.00266   0.00000   0.00269   3.08173
   D84       -0.07415   0.00133   0.00260   0.00000   0.00263  -0.07153
   D85       -1.62000  -0.00298  -0.00447   0.00000  -0.00448  -1.62448
   D86        1.51000  -0.00300  -0.00453   0.00000  -0.00455   1.50545
   D87       -0.02598  -0.00038  -0.00056   0.00000  -0.00056  -0.02654
   D88        3.13445   0.00015   0.00021   0.00000   0.00021   3.13466
   D89        3.12658  -0.00034  -0.00047   0.00000  -0.00047   3.12611
   D90        0.00382   0.00020   0.00030   0.00000   0.00030   0.00412
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   D92       -0.02731  -0.00063  -0.00110   0.00000  -0.00109  -0.02840
   D93       -0.00739  -0.00003  -0.00009   0.00000  -0.00009  -0.00749
   D94        3.10287  -0.00074  -0.00129   0.00000  -0.00129   3.10158
   D95        0.01551   0.00036   0.00064   0.00000   0.00063   0.01614
   D96        3.13820  -0.00029  -0.00030   0.00000  -0.00032   3.13788
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   D193       3.12959  -0.00104  -0.00213   0.00000  -0.00212   3.12748
   D194       0.04390  -0.00129  -0.00213   0.00000  -0.00213   0.04177
   D195       0.09442  -0.00009  -0.00011   0.00000  -0.00009   0.09434
   D196      -2.99126  -0.00034  -0.00012   0.00000  -0.00010  -2.99137
   D197      -0.01399   0.00051   0.00076   0.00000   0.00076  -0.01323
   D198       3.13933   0.00060   0.00089   0.00000   0.00088   3.14021
   D199       3.04279  -0.00025  -0.00043   0.00000  -0.00045   3.04234
   D200      -0.08707  -0.00017  -0.00031   0.00000  -0.00033  -0.08741
   D201       3.11888  -0.00085  -0.00163   0.00000  -0.00162   3.11726
   D202       0.03867  -0.00134  -0.00215   0.00000  -0.00215   0.03652
   D203       0.08748  -0.00008  -0.00017   0.00000  -0.00015   0.08732
   D204      -2.99273  -0.00057  -0.00069   0.00000  -0.00068  -2.99342
   D205       0.01494  -0.00022  -0.00037   0.00000  -0.00039   0.01455
   D206      -3.13722  -0.00057  -0.00091   0.00000  -0.00093  -3.13816
   D207      -3.13923  -0.00054  -0.00083   0.00000  -0.00085  -3.14008
   D208      -0.00820  -0.00089  -0.00136   0.00000  -0.00139  -0.00959
   D209       0.02941  -0.00013  -0.00001   0.00000   0.00000   0.02941
   D210      -3.12919  -0.00010  -0.00001   0.00000  -0.00000  -3.12919
   D211      -3.09757   0.00005   0.00027   0.00000   0.00028  -3.09729
   D212       0.02702   0.00007   0.00027   0.00000   0.00027   0.02730
   D213      -0.01134   0.00028   0.00035   0.00000   0.00035  -0.01098
   D214       3.04670  -0.00044  -0.00080   0.00000  -0.00082   3.04588
   D215       3.14011   0.00042   0.00060   0.00000   0.00060   3.14070
   D216      -0.08504  -0.00029  -0.00055   0.00000  -0.00058  -0.08562
   D217      -3.10068   0.00013   0.00044   0.00000   0.00044  -3.10024
   D218       0.02500   0.00017   0.00046   0.00000   0.00046   0.02546
   D219       0.02863  -0.00011   0.00002   0.00000   0.00003   0.02866
   D220      -3.12888  -0.00007   0.00004   0.00000   0.00005  -3.12883
   D221       3.11882  -0.00064  -0.00123   0.00000  -0.00122   3.11760
   D222       0.03765  -0.00119  -0.00188   0.00000  -0.00188   0.03578
   D223       0.08570   0.00016   0.00027   0.00000   0.00029   0.08598
   D224      -2.99548  -0.00039  -0.00038   0.00000  -0.00037  -2.99584
   D225       0.03397  -0.00036  -0.00038   0.00000  -0.00038   0.03359
   D226       3.13110   0.00036   0.00061   0.00000   0.00060   3.13170
   D227      -3.09569  -0.00028  -0.00012   0.00000  -0.00012  -3.09581
   D228       0.00143   0.00044   0.00087   0.00000   0.00087   0.00230
   D229      -0.02780  -0.00022  -0.00059   0.00000  -0.00060  -0.02840
   D230       3.07971   0.00076   0.00103   0.00000   0.00103   3.08074
   D231      -3.12492  -0.00095  -0.00159   0.00000  -0.00159  -3.12651
   D232      -0.01740   0.00003   0.00003   0.00000   0.00003  -0.01737
   D233      -0.03915   0.00087   0.00139   0.00000   0.00140  -0.03775
   D234       3.05137   0.00096   0.00129   0.00000   0.00130   3.05267
   D235       3.13670  -0.00022  -0.00040   0.00000  -0.00039   3.13631
   D236      -0.05597  -0.00014  -0.00050   0.00000  -0.00049  -0.05646
   D237      -0.03389   0.00073   0.00114   0.00000   0.00114  -0.03275
   D238      -3.13987  -0.00014  -0.00026   0.00000  -0.00026  -3.14012
   D239       3.05297   0.00077   0.00107   0.00000   0.00107   3.05404
   D240      -0.05302  -0.00010  -0.00033   0.00000  -0.00032  -0.05334
   D241      -0.02718  -0.00025  -0.00050   0.00000  -0.00051  -0.02769
   D242      -3.12437  -0.00086  -0.00141   0.00000  -0.00141  -3.12579
   D243       3.07903   0.00051   0.00071   0.00000   0.00071   3.07974
   D244      -0.01817  -0.00010  -0.00020   0.00000  -0.00019  -0.01836
   D245       0.03025  -0.00028  -0.00031   0.00000  -0.00031   0.02994
   D246      -3.09571  -0.00020  -0.00018   0.00000  -0.00018  -3.09589
   D247       3.12748   0.00031   0.00058   0.00000   0.00057   3.12805
   D248       0.00152   0.00039   0.00071   0.00000   0.00071   0.00223
   D249       0.03450  -0.00037  -0.00039   0.00000  -0.00039   0.03411
   D250       3.13096   0.00030   0.00049   0.00000   0.00049   3.13144
   D251      -3.09448  -0.00025  -0.00005   0.00000  -0.00005  -3.09453
   D252       0.00197   0.00042   0.00083   0.00000   0.00083   0.00281
   D253      -0.02829  -0.00025  -0.00065   0.00000  -0.00066  -0.02895
   D254       3.07913   0.00066   0.00083   0.00000   0.00084   3.07997
   D255      -3.12473  -0.00093  -0.00154   0.00000  -0.00155  -3.12628
   D256      -0.01731  -0.00002  -0.00006   0.00000  -0.00005  -0.01736
   D257      -0.03971   0.00093   0.00149   0.00000   0.00150  -0.03822
   D258       3.05082   0.00087   0.00113   0.00000   0.00114   3.05195
   D259       3.13624  -0.00009  -0.00017   0.00000  -0.00017   3.13608
   D260      -0.05641  -0.00015  -0.00053   0.00000  -0.00053  -0.05694
   D261      -0.03379   0.00073   0.00113   0.00000   0.00113  -0.03266
   D262      -3.13981  -0.00026  -0.00045   0.00000  -0.00045  -3.14025
   D263       3.05317   0.00095   0.00138   0.00000   0.00138   3.05455
   D264      -0.05285  -0.00003  -0.00020   0.00000  -0.00020  -0.05305
   D265      -0.02678  -0.00023  -0.00048   0.00000  -0.00049  -0.02727
   D266      -3.12438  -0.00092  -0.00153   0.00000  -0.00153  -3.12591
   D267       3.07947   0.00064   0.00091   0.00000   0.00092   3.08038
   D268      -0.01813  -0.00006  -0.00013   0.00000  -0.00012  -0.01825
   D269       0.02985  -0.00028  -0.00031   0.00000  -0.00031   0.02954
   D270      -3.09647  -0.00028  -0.00029   0.00000  -0.00029  -3.09675
   D271       3.12748   0.00040   0.00072   0.00000   0.00072   3.12819
   D272       0.00116   0.00041   0.00074   0.00000   0.00074   0.00190
   D273       0.02964  -0.00027  -0.00025   0.00000  -0.00025   0.02939
   D274       3.12716   0.00039   0.00069   0.00000   0.00069   3.12785
   D275      -3.09636  -0.00025  -0.00018   0.00000  -0.00017  -3.09653
   D276       0.00116   0.00041   0.00076   0.00000   0.00077   0.00193
   D277      -0.02714  -0.00022  -0.00048   0.00000  -0.00048  -0.02762
   D278       3.07895   0.00062   0.00085   0.00000   0.00085   3.07980
   D279      -3.12462  -0.00088  -0.00144   0.00000  -0.00144  -3.12606
   D280      -0.01854  -0.00005  -0.00011   0.00000  -0.00011  -0.01865
   D281      -0.03362   0.00065   0.00098   0.00000   0.00098  -0.03263
   D282       3.05259   0.00088   0.00122   0.00000   0.00123   3.05381
   D283      -3.13948  -0.00029  -0.00052   0.00000  -0.00052  -3.14000
   D284      -0.05328  -0.00006  -0.00028   0.00000  -0.00027  -0.05355
   D285      -0.03399   0.00088   0.00138   0.00000   0.00138  -0.03261
   D286      -3.13954  -0.00013  -0.00024   0.00000  -0.00023  -3.13978
   D287       3.05138   0.00102   0.00146   0.00000   0.00147   3.05285
   D288      -0.05417   0.00002  -0.00015   0.00000  -0.00015  -0.05432
   D289      -0.02813  -0.00025  -0.00055   0.00000  -0.00056  -0.02868
   D290      -3.12414  -0.00097  -0.00160   0.00000  -0.00161  -3.12575
   D291       3.07764   0.00064   0.00088   0.00000   0.00088   3.07852
   D292      -0.01838  -0.00008  -0.00017   0.00000  -0.00017  -0.01854
   D293       0.03043  -0.00034  -0.00036   0.00000  -0.00037   0.03006
   D294      -3.09450  -0.00030  -0.00027   0.00000  -0.00027  -3.09477
   D295       3.12648   0.00037   0.00067   0.00000   0.00067   3.12714
   D296       0.00155   0.00041   0.00076   0.00000   0.00077   0.00231
         Item               Value     Threshold  Converged?
 Maximum Force            0.100244     0.000450     NO 
 RMS     Force            0.022047     0.000300     NO 
 Maximum Displacement     0.560575     0.001800     NO 
 RMS     Displacement     0.144636     0.001200     NO 
 Predicted change in Energy=-1.946032D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.977226    2.884394    0.076262
      2          6           0       -2.192939    1.517357   -0.063820
      3          6           0       -1.217479    0.524698   -0.065509
      4          6           0        0.122171    0.937915    0.009717
      5          6           0        0.375028    2.295175    0.157513
      6          6           0       -0.628951    3.228440    0.196099
      7          6           0       -1.512212   -0.868327   -0.197215
      8          6           0       -0.462479   -1.800615   -0.298426
      9          6           0        0.880183   -1.375254   -0.235279
     10          6           0        1.181377   -0.008225   -0.070256
     11          6           0       -2.810141   -1.364521   -0.172767
     12          6           0       -3.191651   -2.697281   -0.306204
     13          6           0       -2.113060   -3.571866   -0.451187
     14          6           0       -0.814393   -3.139662   -0.442325
     15          7           0        1.913368   -2.231321   -0.295444
     16          6           0        3.192679   -1.811152   -0.260307
     17          6           0        3.444800   -0.443085   -0.102843
     18          7           0        2.431562    0.409885   -0.022543
     19          6           0        4.277672   -2.668593   -0.359064
     20          6           0        5.557281   -2.181925   -0.312000
     21          6           0        5.868764   -0.819285   -0.154694
     22          6           0        4.762290    0.010395   -0.055749
     23          7           0       -2.991471    3.806655    0.072497
     24          7           0       -4.496551   -3.108859   -0.285635
     25          7           0        7.156697   -0.356057   -0.104544
     26          6           0       -4.943449   -4.355389    0.085685
     27          6           0       -6.338494   -4.404877   -0.017550
     28          6           0       -6.758736   -3.127097   -0.454870
     29          6           0       -5.599799   -2.359148   -0.621582
     30          6           0       -2.886100    5.127124   -0.294359
     31          6           0       -4.131493    5.754060   -0.168223
     32          6           0       -5.037963    4.766634    0.282039
     33          6           0       -4.300636    3.585679    0.432411
     34          6           0        7.583966    0.789504    0.523910
     35          6           0        8.966273    0.932037    0.353939
     36          6           0        9.399565   -0.185746   -0.396670
     37          6           0        8.259711   -0.951688   -0.668513
     38          6           0       -8.028186   -2.640617   -0.707787
     39          6           0       -8.164150   -1.351051   -1.174857
     40          6           0       -7.030119   -0.591576   -1.416582
     41          6           0       -5.767758   -1.090299   -1.167110
     42          6           0       -4.317459   -5.477441    0.618291
     43          6           0       -5.044870   -6.609614    0.923744
     44          6           0       -6.419082   -6.652747    0.747550
     45          6           0       -7.077950   -5.532560    0.288647
     46          6           0       -6.390054    4.853178    0.559823
     47          6           0       -7.042361    3.736952    1.036943
     48          6           0       -6.322969    2.573919    1.264054
     49          6           0       -4.972458    2.501858    0.989689
     50          6           0       -1.858614    5.889307   -0.840973
     51          6           0       -2.052778    7.222804   -1.138430
     52          6           0       -3.280853    7.834271   -0.940083
     53          6           0       -4.338585    7.088604   -0.466218
     54          6           0       10.663881   -0.534475   -0.835255
     55          6           0       10.809833   -1.669651   -1.603295
     56          6           0        9.688663   -2.409590   -1.944630
     57          6           0        8.431118   -2.050729   -1.503939
     58          6           0        6.956346    1.721172    1.344204
     59          6           0        7.662417    2.785652    1.866113
     60          6           0        9.018667    2.939458    1.623615
     61          6           0        9.684103    1.993379    0.874163
     62          1           0       -3.204421    1.226338   -0.327219
     63          1           0        1.394451    2.670231    0.270362
     64          1           0       -0.308789    4.248642    0.403243
     65          1           0       -3.602075   -0.678097    0.106171
     66          1           0       -2.253009   -4.631819   -0.659239
     67          1           0       -0.070508   -3.929232   -0.574840
     68          1           0        1.762217   -3.224437   -0.464929
     69          1           0        4.121029   -3.749045   -0.445334
     70          1           0        6.329961   -2.949547   -0.302773
     71          1           0        4.865595    1.093736   -0.029949
     72          1           0       -8.914921   -3.261241   -0.555255
     73          1           0       -9.156873   -0.944639   -1.391819
     74          1           0       -7.136963    0.411232   -1.841487
     75          1           0       -4.941297   -0.447053   -1.471741
     76          1           0       -3.258123   -5.517010    0.872475
     77          1           0       -4.531878   -7.480663    1.343336
     78          1           0       -6.981130   -7.554601    1.009298
     79          1           0       -8.166206   -5.543345    0.187396
     80          1           0       -6.939962    5.787315    0.419544
     81          1           0       -8.109967    3.780770    1.273778
     82          1           0       -6.829864    1.706254    1.697541
     83          1           0       -4.483935    1.572521    1.285179
     84          1           0       -0.883280    5.484973   -1.112106
     85          1           0       -1.230210    7.802552   -1.569164
     86          1           0       -3.420224    8.889320   -1.195558
     87          1           0       -5.321436    7.551630   -0.346451
     88          1           0       11.536865    0.078316   -0.596727
     89          1           0       11.797387   -1.961235   -1.974131
     90          1           0        9.800317   -3.277182   -2.602719
     91          1           0        7.606246   -2.646527   -1.896389
     92          1           0        5.916466    1.643362    1.663208
     93          1           0        7.149216    3.506124    2.510747
     94          1           0        9.564884    3.782289    2.058431
     95          1           0       10.761674    2.083151    0.714737
     96         17           0        1.675028   -2.803793    2.465707
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0499316           0.0192862           0.0144638
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7981.5228541244 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.20D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999992    0.000983   -0.000382   -0.003818 Ang=   0.45 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.48010510     A.U. after   17 cycles
            NFock= 17  Conv=0.66D-08     -V/T= 2.0076
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.034302399   -0.019775630    0.000401832
      2        6          -0.033355283   -0.012818966   -0.012819754
      3        6           0.001091653    0.022738418    0.000127241
      4        6          -0.008950399    0.003671576    0.002067331
      5        6           0.010814655    0.015878545    0.002103495
      6        6           0.004518233    0.028136095    0.011175027
      7        6          -0.001675338   -0.019581647    0.000348012
      8        6          -0.001783435   -0.009000086   -0.003307510
      9        6           0.001699882   -0.004763124   -0.001718001
     10        6           0.021525258   -0.000574342    0.000191136
     11        6          -0.033132694    0.010100433    0.010880112
     12        6           0.031928617    0.022130410    0.000390269
     13        6           0.006833561   -0.029377567   -0.011524519
     14        6           0.011382762   -0.014853497   -0.001265050
     15        7          -0.003993262   -0.007533026   -0.008211722
     16        6           0.011232772   -0.005881182   -0.000632767
     17        6           0.000822977   -0.008316130    0.001236489
     18        7          -0.012554416    0.030196902    0.003091445
     19        6           0.005214930   -0.018209014   -0.003380552
     20        6           0.020764818   -0.025199180    0.005703460
     21        6          -0.035755860   -0.010653947   -0.002153797
     22        6           0.007866699    0.032025871   -0.005135647
     23        7           0.005136107   -0.003986944    0.000868285
     24        7           0.007800853    0.004994647   -0.000127719
     25        7          -0.005325522   -0.005383770    0.000218039
     26        6           0.000462190   -0.036256941    0.015580102
     27        6          -0.006123461   -0.004577590   -0.002006218
     28        6          -0.006466565   -0.003241236    0.002137253
     29        6          -0.031284798    0.017279763   -0.015066347
     30        6           0.000472364    0.035205335   -0.015770305
     31        6          -0.006745319    0.004105173    0.001851352
     32        6          -0.006453119    0.003200583   -0.002487043
     33        6          -0.030336926   -0.018684359    0.014406092
     34        6          -0.001199016    0.032155045    0.022312184
     35        6           0.005740830    0.004959271   -0.001761548
     36        6           0.006823752    0.003425410    0.002423630
     37        6           0.030161398   -0.012579496   -0.020348032
     38        6          -0.014159172   -0.005814345   -0.000623925
     39        6          -0.019039578    0.000013877   -0.003715444
     40        6          -0.007378286    0.011011439   -0.007450949
     41        6           0.020000022    0.024536392   -0.007399097
     42        6           0.031055405    0.006345573    0.007295595
     43        6           0.006548182   -0.011479218    0.007047058
     44        6          -0.008743273   -0.016841872    0.003930490
     45        6          -0.011489710   -0.010026525    0.001021851
     46        6          -0.014479698    0.004916467    0.000165247
     47        6          -0.019204726   -0.000817263    0.002981265
     48        6          -0.006952866   -0.011314659    0.007085436
     49        6           0.020868884   -0.023892346    0.008018572
     50        6           0.031177296   -0.004475241   -0.006568124
     51        6           0.006343356    0.011601749   -0.006962694
     52        6          -0.009583565    0.016432599   -0.004282576
     53        6          -0.011758612    0.009524976   -0.001506394
     54        6           0.013625537    0.006279743   -0.000664223
     55        6           0.018842811    0.001832170   -0.004866010
     56        6           0.007042565   -0.009425713   -0.009642202
     57        6          -0.019224372   -0.023014475   -0.010934234
     58        6          -0.030371486   -0.009327471    0.007641458
     59        6          -0.006366439    0.009389392    0.009684184
     60        6           0.008382797    0.016220695    0.006534333
     61        6           0.011107741    0.010196565    0.002269282
     62        1           0.001449594   -0.001363953    0.004771575
     63        1          -0.001369195   -0.008548822   -0.001491461
     64        1          -0.005126355   -0.003964466   -0.002173629
     65        1           0.001900188    0.001778350   -0.004461317
     66        1          -0.005060933    0.004011085    0.002490660
     67        1          -0.002155840    0.005812357    0.002067369
     68        1          -0.004497159    0.004971837    0.009084560
     69        1          -0.000858885    0.005975443    0.001462153
     70        1          -0.000782481    0.007441944   -0.001045470
     71        1           0.001962719   -0.004321897    0.002163966
     72        1           0.005042682    0.002104592    0.000088586
     73        1           0.005360666   -0.000397297    0.001983558
     74        1           0.003506200   -0.004325731    0.002990499
     75        1           0.001533834   -0.005438038    0.005058570
     76        1          -0.004391462    0.003577551   -0.004384247
     77        1          -0.002309385    0.005155819   -0.002839058
     78        1           0.002093129    0.004945566   -0.002054052
     79        1           0.004154987    0.003488078   -0.000213712
     80        1           0.005106535   -0.001796949    0.000083321
     81        1           0.005393724    0.000658801   -0.001766188
     82        1           0.003436590    0.004536893   -0.002785461
     83        1           0.001522136    0.005600723   -0.004923050
     84        1          -0.004242779   -0.003828569    0.004657814
     85        1          -0.002149086   -0.005165717    0.002840544
     86        1           0.002270487   -0.004804974    0.002184400
     87        1           0.004316421   -0.003288909    0.000403653
     88        1          -0.004867739   -0.002346549    0.000071781
     89        1          -0.005241599   -0.000297130    0.002381473
     90        1          -0.003379715    0.003549406    0.003917977
     91        1          -0.001031667    0.004235527    0.005647272
     92        1           0.003967253   -0.002344834   -0.005838019
     93        1           0.002307747   -0.004366570   -0.003924227
     94        1          -0.002058480   -0.004516913   -0.002886249
     95        1          -0.004008143   -0.003573898   -0.000607155
     96       17           0.000501898   -0.003981071   -0.001811591
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.036256941 RMS     0.011481198

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.033283851 RMS     0.007659826
 Search for a local minimum.
 Step number   3 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 ITU=  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.01963   0.02702   0.02709   0.02726   0.02729
     Eigenvalues ---    0.02737   0.02747   0.02759   0.02760   0.02772
     Eigenvalues ---    0.02779   0.02780   0.02787   0.02788   0.02788
     Eigenvalues ---    0.02791   0.02794   0.02794   0.02794   0.02795
     Eigenvalues ---    0.02809   0.02822   0.02824   0.02824   0.02826
     Eigenvalues ---    0.02826   0.02826   0.02826   0.02827   0.02830
     Eigenvalues ---    0.02835   0.02840   0.02842   0.02846   0.02847
     Eigenvalues ---    0.02847   0.02847   0.02849   0.02849   0.02858
     Eigenvalues ---    0.02859   0.02862   0.02871   0.02871   0.02871
     Eigenvalues ---    0.02872   0.02875   0.02875   0.02875   0.02877
     Eigenvalues ---    0.02878   0.02879   0.02879   0.02879   0.02879
     Eigenvalues ---    0.02879   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02899   0.02900   0.02900   0.02900   0.02906
     Eigenvalues ---    0.02910   0.02911   0.02911   0.02912   0.02915
     Eigenvalues ---    0.02923   0.02924   0.02929   0.02958   0.02959
     Eigenvalues ---    0.02963   0.02981   0.03012   0.03021   0.03022
     Eigenvalues ---    0.03026   0.03127   0.03128   0.03134   0.03135
     Eigenvalues ---    0.03139   0.03148   0.03269   0.06512   0.15865
     Eigenvalues ---    0.15871   0.15897   0.15913   0.15934   0.15943
     Eigenvalues ---    0.15953   0.15962   0.15973   0.15974   0.15974
     Eigenvalues ---    0.15976   0.15977   0.15984   0.15985   0.15985
     Eigenvalues ---    0.15985   0.15986   0.15986   0.15993   0.15994
     Eigenvalues ---    0.15994   0.15994   0.15994   0.15994   0.15994
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.17179   0.21993
     Eigenvalues ---    0.21993   0.21994   0.21995   0.21995   0.21995
     Eigenvalues ---    0.22408   0.22417   0.22431   0.22525   0.22583
     Eigenvalues ---    0.22583   0.22588   0.22588   0.22588   0.23302
     Eigenvalues ---    0.23468   0.23485   0.23553   0.24298   0.24382
     Eigenvalues ---    0.24384   0.24384   0.24432   0.24434   0.24572
     Eigenvalues ---    0.24591   0.24620   0.24863   0.24864   0.24894
     Eigenvalues ---    0.24928   0.24931   0.24932   0.24938   0.24976
     Eigenvalues ---    0.24989   0.24990   0.24994   0.24998   0.24999
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25038   0.33219
     Eigenvalues ---    0.33238   0.33245   0.33250   0.33253   0.33255
     Eigenvalues ---    0.33256   0.33295   0.33381   0.33390   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33400   0.33558   0.33563
     Eigenvalues ---    0.33568   0.33574   0.33575   0.33576   0.33633
     Eigenvalues ---    0.33837   0.33852   0.33864   0.33885   0.33886
     Eigenvalues ---    0.33897   0.33907   0.33934   0.33950   0.33954
     Eigenvalues ---    0.34775   0.34788   0.42126   0.44119   0.44129
     Eigenvalues ---    0.44132   0.44909   0.45731   0.48271   0.48810
     Eigenvalues ---    0.48815   0.48882   0.49179   0.49381   0.49765
     Eigenvalues ---    0.50248   0.50259   0.50320   0.50327   0.50332
     Eigenvalues ---    0.50335   0.50789   0.52478   0.52965   0.54008
     Eigenvalues ---    0.54040   0.54054   0.54154   0.54159   0.54171
     Eigenvalues ---    0.54198   0.54797   0.54837   0.55055   0.55418
     Eigenvalues ---    0.55495   0.55571   0.55700   0.55883   0.55886
     Eigenvalues ---    0.55929   0.56104   0.56109   0.56129   0.56196
     Eigenvalues ---    0.56338   0.56661   0.56662   0.56664   0.56673
     Eigenvalues ---    0.56677   0.56686   0.56710   0.56747   0.56825
     Eigenvalues ---    0.56884   0.56893   0.57144   0.57159   0.57161
     Eigenvalues ---    0.57165   0.57173   0.57177   0.59645   0.60537
     Eigenvalues ---    0.63472   0.64105   0.65980   0.66069   0.67459
     Eigenvalues ---    0.67518   0.67621   0.69392   0.69783   0.69947
     Eigenvalues ---    0.73934   0.76414
 RFO step:  Lambda=-3.60810072D-02 EMin= 1.96295683D-02
 Quartic linear search produced a step of  0.59963.
 Iteration  1 RMS(Cart)=  0.13566243 RMS(Int)=  0.00254301
 Iteration  2 RMS(Cart)=  0.00666271 RMS(Int)=  0.00011841
 Iteration  3 RMS(Cart)=  0.00001597 RMS(Int)=  0.00011826
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00011826
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.62865   0.00959   0.03087  -0.01118   0.01986   2.64852
    R2        2.63925   0.01599   0.03875  -0.00457   0.03430   2.67355
    R3        2.59056   0.02931   0.06049  -0.00370   0.05678   2.64734
    R4        2.62998   0.01085   0.02948  -0.00675   0.02278   2.65276
    R5        2.05030  -0.00178  -0.00405  -0.00110  -0.00515   2.04515
    R6        2.65308   0.01682   0.04273  -0.00665   0.03595   2.68903
    R7        2.70220   0.02768   0.05445   0.00869   0.06313   2.76533
    R8        2.62389   0.01499   0.03198   0.00024   0.03204   2.65593
    R9        2.68813   0.02485   0.05472   0.00018   0.05491   2.74304
   R10        2.59137   0.01162   0.02391   0.00056   0.02443   2.61580
   R11        2.06372  -0.00606  -0.00866  -0.01077  -0.01944   2.04428
   R12        2.05818  -0.00458  -0.00649  -0.00805  -0.01455   2.04363
   R13        2.65998   0.01806   0.04255  -0.00318   0.03921   2.69919
   R14        2.62626   0.01010   0.02787  -0.00687   0.02101   2.64727
   R15        2.66422   0.02155   0.04148   0.00629   0.04777   2.71199
   R16        2.63045   0.01725   0.03383   0.00378   0.03745   2.66790
   R17        2.66359   0.02210   0.04540   0.00144   0.04682   2.71041
   R18        2.53811   0.00742   0.02227  -0.00947   0.01275   2.55086
   R19        2.49276   0.01283   0.03792  -0.01449   0.02345   2.51621
   R20        2.63181   0.00974   0.03279  -0.01306   0.01989   2.65171
   R21        2.04941  -0.00188  -0.00433  -0.00105  -0.00538   2.04403
   R22        2.63837   0.01644   0.03922  -0.00422   0.03514   2.67351
   R23        2.58595   0.02812   0.05848  -0.00408   0.05440   2.64034
   R24        2.58652   0.01096   0.02162   0.00160   0.02321   2.60973
   R25        2.05830  -0.00492  -0.00669  -0.00903  -0.01572   2.04258
   R26        2.06521  -0.00514  -0.00572  -0.01125  -0.01697   2.04824
   R27        2.54546   0.01629   0.03062   0.00085   0.03144   2.57691
   R28        1.92516  -0.00497  -0.00687  -0.00715  -0.01398   1.91118
   R29        5.34779   0.00440   0.00401   0.05206   0.05624   5.40402
   R30        2.64559   0.02304   0.04736   0.00388   0.05118   2.69677
   R31        2.61996   0.01674   0.03391   0.00227   0.03608   2.65604
   R32        2.50747   0.02544   0.04788  -0.00165   0.04628   2.55376
   R33        2.63455   0.01554   0.03642  -0.00299   0.03343   2.66798
   R34        2.58862   0.00810   0.02076  -0.00446   0.01629   2.60491
   R35        2.06954  -0.00611  -0.00683  -0.01352  -0.02035   2.04919
   R36        2.65811   0.01867   0.04208  -0.00221   0.03997   2.69808
   R37        2.05830  -0.00455  -0.00678  -0.00756  -0.01434   2.04396
   R38        2.62015   0.00574   0.02630  -0.01591   0.01050   2.63064
   R39        2.58821   0.02914   0.06003  -0.00373   0.05630   2.64451
   R40        2.05708  -0.00454  -0.00742  -0.00670  -0.01411   2.04297
   R41        2.59748   0.03245   0.06297   0.00105   0.06405   2.66153
   R42        2.59951   0.03094   0.06290  -0.00172   0.06119   2.66070
   R43        2.59893   0.03328   0.06362   0.00211   0.06576   2.66469
   R44        2.59938   0.03156   0.06309  -0.00068   0.06242   2.66180
   R45        2.59782   0.03212   0.06304   0.00035   0.06341   2.66123
   R46        2.59758   0.03211   0.06314   0.00023   0.06339   2.66097
   R47        2.64512   0.01731   0.04165  -0.00522   0.03656   2.68168
   R48        2.62837   0.01051   0.03196  -0.01007   0.02197   2.65034
   R49        2.67286   0.03118   0.06219   0.00294   0.06511   2.73797
   R50        2.61317   0.01410   0.03255  -0.00329   0.02930   2.64248
   R51        2.64607   0.01696   0.04241  -0.00739   0.03513   2.68120
   R52        2.61311   0.01410   0.03256  -0.00333   0.02928   2.64239
   R53        2.62923   0.00985   0.03162  -0.01133   0.02037   2.64959
   R54        2.64559   0.01753   0.04188  -0.00486   0.03714   2.68274
   R55        2.62899   0.01054   0.03215  -0.01021   0.02202   2.65100
   R56        2.67210   0.03111   0.06215   0.00293   0.06507   2.73716
   R57        2.61350   0.01415   0.03272  -0.00333   0.02944   2.64293
   R58        2.64624   0.01700   0.04246  -0.00729   0.03528   2.68151
   R59        2.61357   0.01415   0.03265  -0.00330   0.02940   2.64297
   R60        2.62976   0.00986   0.03175  -0.01142   0.02041   2.65016
   R61        2.64560   0.01708   0.04206  -0.00647   0.03570   2.68130
   R62        2.62855   0.01014   0.03191  -0.01092   0.02107   2.64962
   R63        2.67287   0.03110   0.06239   0.00259   0.06496   2.73784
   R64        2.61327   0.01412   0.03257  -0.00328   0.02934   2.64261
   R65        2.64550   0.01737   0.04211  -0.00578   0.03645   2.68195
   R66        2.61334   0.01408   0.03264  -0.00343   0.02926   2.64260
   R67        2.62883   0.01035   0.03218  -0.01072   0.02154   2.65037
   R68        2.60455   0.01405   0.02880   0.00078   0.02950   2.63404
   R69        2.06555  -0.00486  -0.00610  -0.00977  -0.01587   2.04968
   R70        2.61934   0.01722   0.03420   0.00273   0.03680   2.65614
   R71        2.06814  -0.00567  -0.00618  -0.01268  -0.01886   2.04928
   R72        2.60790   0.01342   0.02692   0.00190   0.02878   2.63668
   R73        2.06800  -0.00600  -0.00728  -0.01250  -0.01978   2.04823
   R74        2.06110  -0.00453  -0.00587  -0.00873  -0.01461   2.04650
   R75        2.60772   0.01330   0.02663   0.00193   0.02851   2.63623
   R76        2.06003  -0.00457  -0.00564  -0.00914  -0.01478   2.04526
   R77        2.61941   0.01711   0.03420   0.00236   0.03644   2.65585
   R78        2.06832  -0.00601  -0.00708  -0.01276  -0.01985   2.04847
   R79        2.60448   0.01375   0.02891  -0.00011   0.02872   2.63319
   R80        2.06815  -0.00569  -0.00621  -0.01273  -0.01894   2.04921
   R81        2.06549  -0.00483  -0.00606  -0.00972  -0.01578   2.04971
   R82        2.60420   0.01400   0.02868   0.00079   0.02938   2.63358
   R83        2.06551  -0.00480  -0.00601  -0.00966  -0.01566   2.04984
   R84        2.61967   0.01738   0.03435   0.00291   0.03714   2.65681
   R85        2.06819  -0.00566  -0.00614  -0.01269  -0.01883   2.04935
   R86        2.60779   0.01332   0.02689   0.00170   0.02854   2.63633
   R87        2.06810  -0.00602  -0.00728  -0.01255  -0.01984   2.04827
   R88        2.06113  -0.00452  -0.00597  -0.00858  -0.01455   2.04658
   R89        2.60782   0.01325   0.02667   0.00175   0.02837   2.63619
   R90        2.05996  -0.00454  -0.00564  -0.00905  -0.01469   2.04526
   R91        2.61944   0.01720   0.03423   0.00250   0.03661   2.65605
   R92        2.06859  -0.00597  -0.00699  -0.01275  -0.01974   2.04885
   R93        2.60437   0.01372   0.02884  -0.00011   0.02865   2.63302
   R94        2.06821  -0.00568  -0.00617  -0.01273  -0.01890   2.04931
   R95        2.06554  -0.00484  -0.00607  -0.00972  -0.01579   2.04976
   R96        2.60468   0.01382   0.02892   0.00008   0.02892   2.63359
   R97        2.06535  -0.00481  -0.00606  -0.00964  -0.01570   2.04965
   R98        2.61919   0.01712   0.03409   0.00255   0.03651   2.65570
   R99        2.06820  -0.00570  -0.00622  -0.01275  -0.01897   2.04922
   R100       2.60783   0.01331   0.02670   0.00189   0.02854   2.63637
   R101       2.06859  -0.00598  -0.00700  -0.01278  -0.01978   2.04881
   R102       2.06093  -0.00448  -0.00557  -0.00896  -0.01452   2.04641
   R103       2.60758   0.01326   0.02662   0.00187   0.02845   2.63602
   R104       2.06073  -0.00454  -0.00580  -0.00888  -0.01467   2.04605
   R105       2.61976   0.01719   0.03426   0.00256   0.03670   2.65645
   R106       2.06837  -0.00601  -0.00707  -0.01277  -0.01984   2.04853
   R107       2.60450   0.01381   0.02889   0.00009   0.02890   2.63340
   R108       2.06818  -0.00568  -0.00617  -0.01271  -0.01888   2.04930
   R109       2.06546  -0.00481  -0.00603  -0.00968  -0.01571   2.04975
   R110       5.59728  -0.00573  -0.00545  -0.09743  -0.10307   5.49422
    A1        1.98279   0.01609   0.01145   0.06165   0.07340   2.05619
    A2        2.14855  -0.00995  -0.00442  -0.04126  -0.04584   2.10271
    A3        2.15167  -0.00614  -0.00703  -0.02025  -0.02744   2.12423
    A4        2.20482  -0.01361  -0.01166  -0.05287  -0.06438   2.14044
    A5        2.01819   0.00861   0.00853   0.03552   0.04389   2.06208
    A6        2.05084   0.00508   0.00314   0.02076   0.02372   2.07455
    A7        2.04745   0.00468   0.00396   0.01716   0.02104   2.06849
    A8        2.15375  -0.00623  -0.00403  -0.02404  -0.02804   2.12570
    A9        2.08098   0.00160   0.00012   0.00758   0.00761   2.08859
   A10        2.05689   0.00309   0.00087   0.01552   0.01612   2.07301
   A11        2.10800  -0.00014   0.00003  -0.00189  -0.00178   2.10622
   A12        2.11829  -0.00294  -0.00090  -0.01363  -0.01435   2.10394
   A13        2.13522  -0.00257  -0.00066  -0.00963  -0.01050   2.12472
   A14        2.11379  -0.00525  -0.00636  -0.02827  -0.03453   2.07926
   A15        2.03397   0.00783   0.00702   0.03796   0.04509   2.07906
   A16        2.13735  -0.00763  -0.00391  -0.03138  -0.03522   2.10213
   A17        2.13040  -0.00124  -0.00203  -0.01202  -0.01412   2.11628
   A18        2.01266   0.00889   0.00591   0.04414   0.05001   2.06268
   A19        2.09224   0.00056   0.00039   0.00188   0.00221   2.09445
   A20        2.13968  -0.00413  -0.00065  -0.01913  -0.01964   2.12005
   A21        2.05023   0.00359   0.00029   0.01759   0.01776   2.06799
   A22        2.10270  -0.00411  -0.00256  -0.01740  -0.01992   2.08278
   A23        2.04433   0.00391   0.00524   0.01383   0.01877   2.06310
   A24        2.13606   0.00020  -0.00269   0.00344   0.00094   2.13700
   A25        2.09597   0.00615   0.00783   0.01996   0.02774   2.12371
   A26        2.13920  -0.00526  -0.00835  -0.00937  -0.01763   2.12156
   A27        2.04770  -0.00089   0.00051  -0.01059  -0.01012   2.03759
   A28        2.08581  -0.00407  -0.00585  -0.01062  -0.01653   2.06928
   A29        2.08616  -0.00185   0.00765  -0.01867  -0.01098   2.07518
   A30        2.11083   0.00592  -0.00180   0.02930   0.02752   2.13835
   A31        2.20908  -0.01305  -0.01124  -0.05134  -0.06246   2.14662
   A32        2.04938   0.00430   0.00192   0.01801   0.01983   2.06920
   A33        2.01563   0.00878   0.00927   0.03570   0.04492   2.06055
   A34        1.97990   0.01677   0.01356   0.06107   0.07492   2.05481
   A35        2.15029  -0.00962  -0.00452  -0.03927  -0.04393   2.10636
   A36        2.15296  -0.00715  -0.00904  -0.02177  -0.03096   2.12199
   A37        2.13473  -0.00789  -0.00560  -0.03007  -0.03558   2.09915
   A38        2.12960  -0.00074  -0.00059  -0.01110  -0.01180   2.11780
   A39        2.01577   0.00868   0.00619   0.04234   0.04846   2.06423
   A40        2.14636  -0.00328  -0.00217  -0.01027  -0.01265   2.13371
   A41        2.13584  -0.00226  -0.00271  -0.01507  -0.01770   2.11815
   A42        2.00084   0.00555   0.00489   0.02550   0.03047   2.03131
   A43        2.13011   0.00477   0.01147   0.00520   0.01631   2.14643
   A44        2.11141  -0.00573  -0.00938  -0.01815  -0.02771   2.08369
   A45        1.59124   0.00168   0.00033   0.02389   0.02369   1.61493
   A46        2.03682   0.00108  -0.00189   0.01636   0.01432   2.05113
   A47        1.68871   0.00108   0.00060   0.01858   0.01874   1.70744
   A48        2.07007  -0.00551  -0.00756  -0.01541  -0.02287   2.04721
   A49        2.15135  -0.00072   0.00170  -0.00987  -0.00807   2.14328
   A50        2.06171   0.00623   0.00585   0.02528   0.03093   2.09264
   A51        2.09147   0.00531   0.00130   0.02731   0.02872   2.12018
   A52        2.08500  -0.00266  -0.00513  -0.00364  -0.00889   2.07611
   A53        2.10655  -0.00266   0.00382  -0.02382  -0.02000   2.08654
   A54        2.11504  -0.00960  -0.00391  -0.03537  -0.03919   2.07585
   A55        2.10467  -0.00341  -0.00225  -0.01149  -0.01385   2.09081
   A56        2.09882   0.00141   0.00112   0.00359   0.00475   2.10358
   A57        2.07925   0.00198   0.00112   0.00765   0.00879   2.08804
   A58        2.15900  -0.00664  -0.00297  -0.03059  -0.03348   2.12552
   A59        1.99608   0.00935   0.00621   0.04931   0.05547   2.05155
   A60        2.12314  -0.00267  -0.00324  -0.01742  -0.02076   2.10238
   A61        1.99429   0.01546   0.01076   0.05691   0.06789   2.06218
   A62        2.14120  -0.00901  -0.00656  -0.03285  -0.03953   2.10167
   A63        2.14769  -0.00645  -0.00420  -0.02406  -0.02839   2.11930
   A64        2.16168  -0.00897  -0.00626  -0.03645  -0.04261   2.11906
   A65        1.99786   0.00587   0.00321   0.02838   0.03150   2.02935
   A66        2.11938   0.00315   0.00307   0.00951   0.01248   2.13186
   A67        2.20224  -0.00053  -0.00570   0.00334  -0.00242   2.19983
   A68        2.20848  -0.00341  -0.00092  -0.01659  -0.01757   2.19091
   A69        1.87246   0.00394   0.00662   0.01325   0.01997   1.89243
   A70        2.19756   0.00024  -0.00453   0.00510   0.00051   2.19808
   A71        2.21083  -0.00358  -0.00151  -0.01686  -0.01842   2.19241
   A72        1.87478   0.00334   0.00604   0.01174   0.01788   1.89265
   A73        2.20291  -0.00217  -0.00314  -0.00794  -0.01114   2.19177
   A74        2.20557  -0.00146  -0.00338  -0.00436  -0.00779   2.19778
   A75        1.87470   0.00363   0.00652   0.01231   0.01894   1.89364
   A76        1.91345  -0.00517  -0.00769  -0.01095  -0.01865   1.89480
   A77        2.32998  -0.00789  -0.00425  -0.03272  -0.03712   2.29287
   A78        2.03564   0.01305   0.01189   0.04393   0.05599   2.09163
   A79        1.86187   0.00314   0.00463   0.00441   0.00900   1.87087
   A80        2.14772  -0.00952  -0.01281  -0.02549  -0.03814   2.10958
   A81        2.27351   0.00637   0.00817   0.02106   0.02911   2.30262
   A82        1.86122   0.00333   0.00540   0.00351   0.00886   1.87008
   A83        2.27461   0.00644   0.00734   0.02326   0.03049   2.30511
   A84        2.14731  -0.00977  -0.01275  -0.02676  -0.03935   2.10796
   A85        1.91329  -0.00463  -0.00838  -0.00855  -0.01698   1.89631
   A86        2.33179  -0.00894  -0.00332  -0.03785  -0.04130   2.29049
   A87        2.03413   0.01356   0.01163   0.04677   0.05859   2.09271
   A88        1.91555  -0.00544  -0.00804  -0.01185  -0.01989   1.89565
   A89        2.32925  -0.00753  -0.00372  -0.03171  -0.03558   2.29367
   A90        2.03428   0.01297   0.01171   0.04391   0.05579   2.09007
   A91        1.86110   0.00311   0.00474   0.00448   0.00918   1.87028
   A92        2.14828  -0.00959  -0.01288  -0.02581  -0.03853   2.10975
   A93        2.27374   0.00648   0.00815   0.02131   0.02933   2.30307
   A94        1.86039   0.00326   0.00535   0.00365   0.00895   1.86934
   A95        2.27441   0.00660   0.00740   0.02369   0.03098   2.30539
   A96        2.14833  -0.00986  -0.01275  -0.02734  -0.03993   2.10841
   A97        1.91510  -0.00485  -0.00866  -0.00937  -0.01808   1.89701
   A98        2.33137  -0.00890  -0.00307  -0.03789  -0.04110   2.29027
   A99        2.03267   0.01374   0.01166   0.04772   0.05958   2.09225
   A100       1.91369  -0.00498  -0.00829  -0.00987  -0.01820   1.89550
   A101       2.32885  -0.00850  -0.00380  -0.03556  -0.03951   2.28934
   A102       2.03635   0.01347   0.01205   0.04582   0.05805   2.09440
   A103       1.86131   0.00323   0.00508   0.00386   0.00890   1.87020
   A104       2.14717  -0.00973  -0.01301  -0.02624  -0.03909   2.10809
   A105       2.27463   0.00650   0.00793   0.02237   0.03018   2.30481
   A106       1.86085   0.00325   0.00499   0.00421   0.00916   1.87001
   A107       2.27529   0.00639   0.00794   0.02171   0.02953   2.30482
   A108       2.14699  -0.00964  -0.01293  -0.02593  -0.03870   2.10829
   A109       1.91411  -0.00512  -0.00829  -0.01039  -0.01871   1.89540
   A110       2.32898  -0.00786  -0.00327  -0.03343  -0.03685   2.29213
   A111       2.03593   0.01298   0.01152   0.04419   0.05588   2.09181
   A112       2.07340   0.00132   0.00355   0.00073   0.00425   2.07765
   A113       2.11703  -0.00323  -0.00461  -0.01293  -0.01752   2.09951
   A114       2.09268   0.00191   0.00105   0.01222   0.01329   2.10597
   A115       2.08409   0.00206   0.00264   0.00800   0.01040   2.09450
   A116       2.09915  -0.00086  -0.00118  -0.00290  -0.00401   2.09514
   A117       2.09911  -0.00117  -0.00143  -0.00461  -0.00596   2.09315
   A118       2.11630   0.00124   0.00218   0.00490   0.00688   2.12318
   A119       2.08280   0.00136   0.00144   0.00673   0.00822   2.09103
   A120       2.08363  -0.00257  -0.00359  -0.01125  -0.01479   2.06884
   A121       2.10700  -0.00837  -0.00725  -0.03250  -0.03972   2.06727
   A122       2.16022  -0.00167  -0.00084  -0.01613  -0.01700   2.14322
   A123       2.01474   0.01006   0.00808   0.04906   0.05712   2.07186
   A124       2.10528  -0.00834  -0.00742  -0.03175  -0.03914   2.06614
   A125       2.16028  -0.00127  -0.00064  -0.01393  -0.01460   2.14568
   A126       2.01623   0.00963   0.00805   0.04603   0.05406   2.07029
   A127       2.11764   0.00144   0.00215   0.00572   0.00770   2.12533
   A128       2.08373  -0.00272  -0.00364  -0.01186  -0.01544   2.06829
   A129       2.08132   0.00130   0.00151   0.00646   0.00803   2.08935
   A130       2.08401   0.00203   0.00267   0.00726   0.00972   2.09373
   A131       2.09947  -0.00118  -0.00150  -0.00440  -0.00581   2.09365
   A132       2.09889  -0.00082  -0.00115  -0.00251  -0.00358   2.09531
   A133       2.07248   0.00136   0.00351   0.00092   0.00441   2.07689
   A134       2.11759  -0.00323  -0.00457  -0.01290  -0.01745   2.10013
   A135       2.09301   0.00187   0.00105   0.01198   0.01305   2.10606
   A136       2.07328   0.00130   0.00357   0.00068   0.00421   2.07749
   A137       2.11712  -0.00323  -0.00461  -0.01300  -0.01760   2.09953
   A138       2.09271   0.00194   0.00104   0.01234   0.01340   2.10610
   A139       2.08361   0.00209   0.00260   0.00823   0.01059   2.09420
   A140       2.09929  -0.00087  -0.00117  -0.00294  -0.00403   2.09526
   A141       2.09943  -0.00120  -0.00141  -0.00482  -0.00614   2.09329
   A142       2.11659   0.00131   0.00230   0.00507   0.00717   2.12376
   A143       2.08253   0.00137   0.00141   0.00683   0.00830   2.09083
   A144       2.08361  -0.00265  -0.00369  -0.01154  -0.01517   2.06844
   A145       2.10762  -0.00853  -0.00738  -0.03317  -0.04052   2.06710
   A146       2.16020  -0.00169  -0.00087  -0.01634  -0.01722   2.14297
   A147       2.01414   0.01023   0.00823   0.04986   0.05808   2.07222
   A148       2.10619  -0.00822  -0.00725  -0.03141  -0.03863   2.06756
   A149       2.15956  -0.00150  -0.00086  -0.01495  -0.01585   2.14371
   A150       2.01606   0.00974   0.00812   0.04686   0.05495   2.07101
   A151       2.11773   0.00141   0.00213   0.00553   0.00748   2.12521
   A152       2.08388  -0.00264  -0.00355  -0.01147  -0.01497   2.06891
   A153       2.08108   0.00125   0.00145   0.00631   0.00781   2.08889
   A154       2.08345   0.00200   0.00260   0.00721   0.00961   2.09306
   A155       2.09979  -0.00117  -0.00146  -0.00437  -0.00576   2.09403
   A156       2.09914  -0.00080  -0.00111  -0.00243  -0.00348   2.09566
   A157       2.07289   0.00145   0.00369   0.00124   0.00491   2.07780
   A158       2.11742  -0.00330  -0.00467  -0.01318  -0.01785   2.09958
   A159       2.09277   0.00185   0.00099   0.01196   0.01295   2.10572
   A160       2.07283   0.00153   0.00381   0.00138   0.00517   2.07800
   A161       2.11723  -0.00330  -0.00470  -0.01305  -0.01774   2.09950
   A162       2.09301   0.00177   0.00089   0.01170   0.01259   2.10560
   A163       2.08432   0.00196   0.00260   0.00715   0.00954   2.09387
   A164       2.09876  -0.00076  -0.00108  -0.00236  -0.00336   2.09540
   A165       2.09929  -0.00117  -0.00150  -0.00438  -0.00580   2.09349
   A166       2.11725   0.00127   0.00201   0.00506   0.00689   2.12415
   A167       2.08136   0.00127   0.00144   0.00631   0.00780   2.08916
   A168       2.08407  -0.00252  -0.00342  -0.01101  -0.01439   2.06969
   A169       2.10540  -0.00807  -0.00702  -0.03114  -0.03813   2.06727
   A170       2.15857  -0.00132  -0.00053  -0.01413  -0.01470   2.14387
   A171       2.01779   0.00942   0.00755   0.04579   0.05332   2.07111
   A172       2.10468  -0.00849  -0.00753  -0.03256  -0.04005   2.06462
   A173       2.15915  -0.00139  -0.00063  -0.01468  -0.01534   2.14381
   A174       2.01789   0.00990   0.00815   0.04771   0.05584   2.07373
   A175       2.11767   0.00140   0.00221   0.00557   0.00759   2.12526
   A176       2.08361  -0.00266  -0.00363  -0.01157  -0.01515   2.06847
   A177       2.08139   0.00128   0.00145   0.00638   0.00788   2.08927
   A178       2.08438   0.00205   0.00272   0.00759   0.01009   2.09447
   A179       2.09926  -0.00118  -0.00150  -0.00449  -0.00591   2.09335
   A180       2.09868  -0.00084  -0.00119  -0.00264  -0.00376   2.09492
   A181       2.07233   0.00133   0.00356   0.00077   0.00431   2.07664
   A182       2.11756  -0.00320  -0.00458  -0.01275  -0.01732   2.10024
   A183       2.09317   0.00187   0.00102   0.01200   0.01303   2.10620
    D1        0.02307  -0.00067  -0.00053  -0.01019  -0.01068   0.01239
    D2       -2.96755  -0.00198  -0.00112  -0.04027  -0.04155  -3.00910
    D3       -3.13796  -0.00031  -0.00033  -0.00224  -0.00236  -3.14032
    D4        0.15460  -0.00163  -0.00092  -0.03232  -0.03323   0.12137
    D5        0.01563   0.00011  -0.00028   0.00462   0.00454   0.02018
    D6       -3.04217  -0.00052  -0.00012  -0.00853  -0.00833  -3.05051
    D7       -3.10648  -0.00020  -0.00052  -0.00308  -0.00367  -3.11015
    D8        0.11890  -0.00084  -0.00035  -0.01623  -0.01655   0.10235
    D9       -2.68441   0.00444   0.00822   0.05853   0.06684  -2.61757
   D10        0.45615   0.00418   0.00847   0.05286   0.06148   0.51763
   D11        0.43588   0.00507   0.00864   0.06810   0.07659   0.51247
   D12       -2.70675   0.00481   0.00890   0.06243   0.07123  -2.63552
   D13       -0.06346   0.00089   0.00116   0.01190   0.01289  -0.05057
   D14        3.12691  -0.00016  -0.00004  -0.00535  -0.00540   3.12152
   D15        2.92466   0.00247   0.00214   0.04346   0.04545   2.97011
   D16       -0.16815   0.00141   0.00093   0.02621   0.02716  -0.14099
   D17        0.06326  -0.00022  -0.00058  -0.00637  -0.00735   0.05591
   D18       -3.07302  -0.00014  -0.00048  -0.00484  -0.00564  -3.07866
   D19       -3.12500   0.00056   0.00045   0.00920   0.00949  -3.11551
   D20        0.02190   0.00064   0.00055   0.01072   0.01121   0.03311
   D21        3.05188   0.00023   0.00054   0.00364   0.00399   3.05587
   D22       -0.13977   0.00080   0.00117   0.01230   0.01332  -0.12645
   D23       -0.04004  -0.00091  -0.00079  -0.01416  -0.01484  -0.05488
   D24        3.05149  -0.00035  -0.00016  -0.00550  -0.00552   3.04598
   D25       -0.02991   0.00035   0.00033   0.00419   0.00455  -0.02535
   D26        3.08917   0.00053   0.00052   0.00796   0.00854   3.09771
   D27        3.10635   0.00028   0.00024   0.00269   0.00288   3.10923
   D28       -0.05776   0.00046   0.00043   0.00646   0.00687  -0.05089
   D29        0.00690   0.00011   0.00008   0.00266   0.00254   0.00945
   D30        3.11904   0.00025   0.00045   0.00324   0.00349   3.12253
   D31       -3.12919   0.00018   0.00018   0.00415   0.00419  -3.12500
   D32       -0.01706   0.00031   0.00055   0.00473   0.00515  -0.01191
   D33       -0.01150   0.00000   0.00042  -0.00246  -0.00192  -0.01343
   D34        3.05155   0.00021  -0.00005   0.00763   0.00785   3.05940
   D35       -3.13155  -0.00002   0.00040  -0.00529  -0.00495  -3.13649
   D36       -0.06849   0.00019  -0.00007   0.00480   0.00482  -0.06367
   D37        0.02954   0.00023   0.00023   0.00358   0.00372   0.03326
   D38       -3.12712  -0.00035  -0.00050  -0.00651  -0.00721  -3.13433
   D39       -3.06452  -0.00010  -0.00034  -0.00362  -0.00428  -3.06880
   D40        0.06200  -0.00068  -0.00106  -0.01371  -0.01521   0.04679
   D41        3.12972   0.00072   0.00095   0.00882   0.00937   3.13909
   D42       -0.16361   0.00184   0.00147   0.03212   0.03340  -0.13022
   D43       -0.06080   0.00120   0.00157   0.01689   0.01816  -0.04264
   D44        2.92906   0.00232   0.00209   0.04019   0.04218   2.97124
   D45       -0.00043   0.00058   0.00052   0.01001   0.01061   0.01018
   D46        3.11341   0.00042   0.00025   0.00983   0.01010   3.12351
   D47       -3.12615   0.00116   0.00122   0.02057   0.02188  -3.10427
   D48       -0.01231   0.00100   0.00095   0.02039   0.02137   0.00906
   D49       -0.03174   0.00068   0.00067   0.00982   0.01042  -0.02132
   D50        3.09104   0.00125   0.00130   0.02077   0.02210   3.11314
   D51        3.09448   0.00005  -0.00006  -0.00066  -0.00106   3.09342
   D52       -0.06593   0.00062   0.00056   0.01028   0.01062  -0.05531
   D53       -0.01786  -0.00078  -0.00070  -0.01318  -0.01384  -0.03171
   D54       -3.12957  -0.00078  -0.00123  -0.01293  -0.01413   3.13948
   D55       -3.13313  -0.00055  -0.00029  -0.01299  -0.01321   3.13685
   D56        0.03835  -0.00055  -0.00082  -0.01274  -0.01349   0.02486
   D57        3.11857   0.00019   0.00047   0.01317   0.01351   3.13208
   D58        0.08617  -0.00119  -0.00162  -0.02608  -0.02722   0.05896
   D59       -1.44162   0.00309   0.00268   0.05101   0.05370  -1.38792
   D60       -0.05005   0.00014   0.00032   0.01345   0.01361  -0.03644
   D61       -3.08245  -0.00123  -0.00178  -0.02580  -0.02712  -3.10957
   D62        1.67295   0.00305   0.00253   0.05129   0.05380   1.72674
   D63       -3.13403   0.00050   0.00005   0.00491   0.00499  -3.12904
   D64       -0.02233   0.00046   0.00035   0.00479   0.00519  -0.01714
   D65        0.02152  -0.00066  -0.00047  -0.01053  -0.01092   0.01059
   D66       -3.12917  -0.00061  -0.00068  -0.00755  -0.00800  -3.13717
   D67       -2.97089  -0.00146  -0.00048  -0.03229  -0.03300  -3.00389
   D68        0.16161  -0.00142  -0.00069  -0.02931  -0.03007   0.13154
   D69        0.01404   0.00003  -0.00039   0.00288   0.00270   0.01674
   D70       -3.03943  -0.00098  -0.00067  -0.01594  -0.01628  -3.05571
   D71       -3.11845  -0.00000  -0.00020  -0.00000  -0.00018  -3.11862
   D72        0.11127  -0.00101  -0.00048  -0.01882  -0.01916   0.09211
   D73       -2.68854   0.00453   0.00805   0.06037   0.06840  -2.62014
   D74        0.44590   0.00437   0.00845   0.05588   0.06433   0.51024
   D75        0.44307   0.00470   0.00793   0.06405   0.07198   0.51505
   D76       -2.70568   0.00453   0.00833   0.05956   0.06791  -2.63776
   D77       -0.00800  -0.00009   0.00030  -0.00346  -0.00303  -0.01102
   D78       -3.13210  -0.00055  -0.00021  -0.01326  -0.01372   3.13737
   D79        3.05083   0.00048   0.00029   0.01196   0.01269   3.06352
   D80       -0.07328   0.00001  -0.00022   0.00216   0.00200  -0.07128
   D81        0.04492   0.00035   0.00012  -0.00579  -0.00572   0.03920
   D82       -3.10834   0.00033   0.00008  -0.00545  -0.00541  -3.11374
   D83        3.08173   0.00125   0.00161   0.02985   0.03180   3.11352
   D84       -0.07153   0.00123   0.00158   0.03020   0.03211  -0.03942
   D85       -1.62448  -0.00321  -0.00269  -0.04715  -0.04992  -1.67440
   D86        1.50545  -0.00323  -0.00273  -0.04681  -0.04961   1.45584
   D87       -0.02654  -0.00047  -0.00034  -0.00307  -0.00343  -0.02997
   D88        3.13466   0.00017   0.00012   0.00526   0.00547   3.14012
   D89        3.12611  -0.00041  -0.00028  -0.00317  -0.00348   3.12263
   D90        0.00412   0.00023   0.00018   0.00516   0.00542   0.00954
   D91       -3.13747   0.00010   0.00006   0.00028   0.00043  -3.13704
   D92       -0.02840  -0.00053  -0.00065  -0.00843  -0.00893  -0.03734
   D93       -0.00749   0.00000  -0.00006   0.00037   0.00040  -0.00709
   D94        3.10158  -0.00063  -0.00078  -0.00835  -0.00896   3.09262
   D95        0.01614   0.00014   0.00038   0.00323   0.00357   0.01971
   D96        3.13788  -0.00050  -0.00019  -0.00497  -0.00525   3.13263
   D97       -0.00152  -0.00013  -0.00001  -0.00432  -0.00434  -0.00586
   D98        3.04188   0.00064   0.00036   0.01317   0.01363   3.05551
   D99       -3.12333   0.00042   0.00048   0.00350   0.00382  -3.11951
   D100      -0.07993   0.00119   0.00086   0.02098   0.02179  -0.05814
   D101       0.00851  -0.00041  -0.00029  -0.00750  -0.00768   0.00083
   D102       3.04456  -0.00004  -0.00037   0.00558   0.00552   3.05008
   D103      -3.10092   0.00022   0.00041   0.00119   0.00167  -3.09925
   D104      -0.06487   0.00059   0.00034   0.01427   0.01487  -0.05000
   D105      -0.00546   0.00042   0.00039   0.00784   0.00834   0.00288
   D106       3.13651   0.00006   0.00001   0.00101   0.00095   3.13746
   D107      -3.03409  -0.00064  -0.00008  -0.00992  -0.00963  -3.04372
   D108       0.10788  -0.00100  -0.00045  -0.01675  -0.01703   0.09086
   D109       0.00197  -0.00017  -0.00025  -0.00192  -0.00223  -0.00026
   D110      -3.03486  -0.00107  -0.00061  -0.02132  -0.02202  -3.05688
   D111      -3.14001   0.00019   0.00013   0.00494   0.00524  -3.13476
   D112       0.10636  -0.00071  -0.00023  -0.01446  -0.01455   0.09180
   D113      -2.68061   0.00478   0.00788   0.06614   0.07393  -2.60668
   D114       0.45705   0.00493   0.00808   0.06817   0.07614   0.53319
   D115       0.46140   0.00439   0.00747   0.05869   0.06627   0.52766
   D116      -2.68413   0.00454   0.00766   0.06072   0.06848  -2.61565
   D117       3.14136  -0.00017   0.00000  -0.00244  -0.00247   3.13889
   D118       0.10355  -0.00090  -0.00004  -0.00985  -0.00992   0.09363
   D119       0.00064   0.00005  -0.00021   0.00234   0.00214   0.00278
   D120      -3.03717  -0.00068  -0.00026  -0.00507  -0.00531  -3.04248
   D121      -3.13034  -0.00018  -0.00027  -0.00197  -0.00225  -3.13259
   D122       0.11438  -0.00097  -0.00002  -0.01110  -0.01113   0.10324
   D123       0.01038  -0.00040  -0.00007  -0.00676  -0.00683   0.00355
   D124      -3.02809  -0.00119   0.00018  -0.01589  -0.01571  -3.04380
   D125       3.13912  -0.00003   0.00015  -0.00007   0.00005   3.13917
   D126       0.10122  -0.00070   0.00012  -0.00632  -0.00626   0.09495
   D127       0.00354   0.00013  -0.00016   0.00380   0.00366   0.00719
   D128      -3.03436  -0.00054  -0.00019  -0.00245  -0.00266  -3.03702
   D129      -3.12799  -0.00034  -0.00043  -0.00443  -0.00488  -3.13287
   D130       0.11579  -0.00106  -0.00018  -0.01237  -0.01259   0.10320
   D131       0.00753  -0.00048  -0.00013  -0.00824  -0.00838  -0.00085
   D132      -3.03188  -0.00121   0.00012  -0.01618  -0.01609  -3.04797
   D133      -3.13837  -0.00021  -0.00016  -0.00291  -0.00305  -3.14143
   D134       0.10914  -0.00101  -0.00027  -0.01082  -0.01110   0.09804
   D135       0.00654  -0.00033  -0.00031  -0.00459  -0.00491   0.00164
   D136      -3.02913  -0.00113  -0.00042  -0.01251  -0.01295  -3.04208
   D137      -3.13536  -0.00013  -0.00007  -0.00138  -0.00146  -3.13682
   D138       0.11059  -0.00087  -0.00012  -0.00895  -0.00907   0.10152
   D139       0.00290  -0.00001   0.00008   0.00030   0.00039   0.00329
   D140      -3.03433  -0.00075   0.00003  -0.00727  -0.00722  -3.04155
   D141      -0.01296   0.00030   0.00042   0.00199   0.00240  -0.01057
   D142       3.14077   0.00041   0.00045   0.00406   0.00442  -3.13799
   D143       3.04454  -0.00034  -0.00038   0.00257   0.00228   3.04681
   D144      -0.08492  -0.00023  -0.00035   0.00465   0.00431  -0.08061
   D145       3.11808  -0.00030  -0.00081  -0.00451  -0.00530   3.11278
   D146       0.03599  -0.00086  -0.00102  -0.01323  -0.01420   0.02180
   D147       0.08577  -0.00009   0.00009  -0.00825  -0.00812   0.07764
   D148      -2.99632  -0.00065  -0.00012  -0.01697  -0.01702  -3.01334
   D149       0.01706  -0.00047  -0.00030  -0.00672  -0.00712   0.00994
   D150      -3.13433  -0.00059  -0.00063  -0.00607  -0.00675  -3.14109
   D151      -3.13786  -0.00074  -0.00054  -0.00946  -0.01014   3.13518
   D152      -0.00607  -0.00087  -0.00087  -0.00881  -0.00977  -0.01584
   D153       0.02777  -0.00006   0.00006  -0.00102  -0.00087   0.02690
   D154      -3.12982  -0.00007   0.00004  -0.00057  -0.00050  -3.13032
   D155      -3.09858   0.00014   0.00019   0.00184   0.00209  -3.09650
   D156       0.02701   0.00013   0.00016   0.00229   0.00245   0.02946
   D157      -0.01542   0.00068   0.00040   0.00944   0.00978  -0.00564
   D158       3.04350  -0.00000  -0.00052   0.01093   0.01052   3.05402
   D159       3.13508   0.00068   0.00058   0.00852   0.00901  -3.13909
   D160      -0.08918   0.00000  -0.00034   0.01001   0.00976  -0.07942
   D161      -3.10367  -0.00009   0.00039  -0.00380  -0.00330  -3.10698
   D162       0.02555  -0.00005   0.00027  -0.00193  -0.00163   0.02392
   D163       0.02672  -0.00015   0.00012  -0.00286  -0.00259   0.02413
   D164      -3.12725  -0.00011  -0.00000  -0.00099  -0.00091  -3.12816
   D165       3.12701  -0.00048  -0.00122  -0.00797  -0.00921   3.11780
   D166       0.04101  -0.00118  -0.00140  -0.01930  -0.02063   0.02038
   D167       0.09303  -0.00034  -0.00003  -0.01348  -0.01353   0.07950
   D168      -2.99297  -0.00103  -0.00021  -0.02481  -0.02496  -3.01793
   D169      -0.01111   0.00034   0.00043   0.00285   0.00326  -0.00785
   D170       3.14153   0.00041   0.00044   0.00427   0.00464  -3.13702
   D171       3.04631  -0.00022  -0.00031   0.00446   0.00425   3.05057
   D172      -0.08423  -0.00015  -0.00030   0.00588   0.00563  -0.07860
   D173       3.11749  -0.00030  -0.00083  -0.00424  -0.00507   3.11242
   D174       0.03493  -0.00107  -0.00126  -0.01646  -0.01760   0.01732
   D175       0.08511  -0.00014   0.00006  -0.00917  -0.00910   0.07601
   D176      -2.99745  -0.00091  -0.00036  -0.02139  -0.02163  -3.01909
   D177       0.01695  -0.00046  -0.00028  -0.00666  -0.00705   0.00990
   D178      -3.13560  -0.00062  -0.00064  -0.00641  -0.00710   3.14048
   D179      -3.13678  -0.00068  -0.00048  -0.00865  -0.00926   3.13715
   D180      -0.00615  -0.00084  -0.00084  -0.00840  -0.00930  -0.01545
   D181       0.02765  -0.00010   0.00004  -0.00163  -0.00150   0.02615
   D182      -3.12946  -0.00004   0.00007  -0.00010   0.00001  -3.12945
   D183      -3.10006   0.00005   0.00012   0.00039   0.00058  -3.09947
   D184       0.02601   0.00011   0.00016   0.00193   0.00210   0.02811
   D185      -0.01713   0.00062   0.00036   0.00851   0.00881  -0.00832
   D186       3.04106  -0.00002  -0.00055   0.01089   0.01049   3.05155
   D187       3.13444   0.00065   0.00055   0.00790   0.00834  -3.14040
   D188      -0.09055   0.00001  -0.00036   0.01028   0.01002  -0.08053
   D189      -3.10182  -0.00006   0.00044  -0.00330  -0.00276  -3.10459
   D190       0.02662  -0.00005   0.00027  -0.00196  -0.00167   0.02496
   D191       0.02723  -0.00015   0.00015  -0.00277  -0.00247   0.02475
   D192      -3.12751  -0.00014  -0.00002  -0.00143  -0.00138  -3.12889
   D193       3.12748  -0.00047  -0.00127  -0.00746  -0.00874   3.11874
   D194       0.04177  -0.00106  -0.00128  -0.01715  -0.01839   0.02338
   D195       0.09434  -0.00037  -0.00005  -0.01411  -0.01421   0.08013
   D196      -2.99137  -0.00095  -0.00006  -0.02381  -0.02386  -3.01523
   D197      -0.01323   0.00057   0.00046   0.00703   0.00744  -0.00579
   D198       3.14021   0.00060   0.00053   0.00735   0.00777  -3.13520
   D199       3.04234  -0.00006  -0.00027   0.00856   0.00842   3.05076
   D200      -0.08741  -0.00003  -0.00020   0.00888   0.00875  -0.07865
   D201       3.11726  -0.00042  -0.00097  -0.00707  -0.00804   3.10922
   D202       0.03652  -0.00114  -0.00129  -0.01840  -0.01961   0.01691
   D203       0.08732  -0.00030  -0.00009  -0.01244  -0.01255   0.07477
   D204      -2.99342  -0.00102  -0.00041  -0.02377  -0.02412  -3.01754
   D205       0.01455  -0.00046  -0.00024  -0.00649  -0.00683   0.00771
   D206      -3.13816  -0.00067  -0.00056  -0.00793  -0.00860   3.13643
   D207      -3.14008  -0.00065  -0.00051  -0.00730  -0.00790   3.13521
   D208      -0.00959  -0.00087  -0.00083  -0.00875  -0.00966  -0.01925
   D209       0.02941  -0.00015   0.00000  -0.00267  -0.00253   0.02688
   D210      -3.12919  -0.00010  -0.00000  -0.00087  -0.00080  -3.12999
   D211      -3.09729  -0.00004   0.00017  -0.00201  -0.00174  -3.09903
   D212       0.02730   0.00002   0.00016  -0.00021  -0.00002   0.02727
   D213      -0.01098   0.00036   0.00021   0.00399   0.00418  -0.00680
   D214       3.04588  -0.00022  -0.00049   0.00556   0.00518   3.05106
   D215       3.14070   0.00044   0.00036   0.00495   0.00522  -3.13726
   D216      -0.08562  -0.00014  -0.00035   0.00651   0.00621  -0.07941
   D217      -3.10024   0.00003   0.00027  -0.00090  -0.00058  -3.10081
   D218       0.02546   0.00010   0.00027   0.00111   0.00138   0.02684
   D219       0.02866  -0.00013   0.00002  -0.00232  -0.00220   0.02646
   D220      -3.12883  -0.00006   0.00003  -0.00031  -0.00024  -3.12907
   D221       3.11760  -0.00024  -0.00073  -0.00390  -0.00464   3.11296
   D222       0.03578  -0.00102  -0.00113  -0.01629  -0.01731   0.01847
   D223       0.08598  -0.00010   0.00017  -0.00902  -0.00886   0.07713
   D224      -2.99584  -0.00088  -0.00022  -0.02141  -0.02152  -3.01737
   D225       0.03359  -0.00038  -0.00023  -0.00469  -0.00489   0.02870
   D226       3.13170   0.00041   0.00036   0.00803   0.00837   3.14007
   D227      -3.09581  -0.00039  -0.00007  -0.00636  -0.00635  -3.10216
   D228       0.00230   0.00040   0.00052   0.00637   0.00691   0.00921
   D229      -0.02840   0.00000  -0.00036   0.00140   0.00092  -0.02748
   D230       3.08074   0.00091   0.00062   0.01485   0.01545   3.09619
   D231      -3.12651  -0.00080  -0.00096  -0.01137  -0.01237  -3.13888
   D232      -0.01737   0.00011   0.00002   0.00209   0.00215  -0.01521
   D233      -0.03775   0.00082   0.00084   0.00980   0.01044  -0.02731
   D234       3.05267   0.00116   0.00078   0.01848   0.01928   3.07195
   D235       3.13631  -0.00016  -0.00024  -0.00399  -0.00432   3.13198
   D236      -0.05646   0.00018  -0.00029   0.00469   0.00452  -0.05194
   D237      -0.03275   0.00069   0.00068   0.00804   0.00861  -0.02413
   D238      -3.14012  -0.00011  -0.00015  -0.00315  -0.00335   3.13971
   D239       3.05404   0.00091   0.00064   0.01436   0.01504   3.06908
   D240      -0.05334   0.00010  -0.00019   0.00317   0.00307  -0.05026
   D241      -0.02769  -0.00012  -0.00031  -0.00102  -0.00142  -0.02911
   D242      -3.12579  -0.00072  -0.00085  -0.01024  -0.01115  -3.13693
   D243       3.07974   0.00061   0.00043   0.00980   0.01023   3.08997
   D244      -0.01836   0.00000  -0.00012   0.00058   0.00051  -0.01785
   D245       0.02994  -0.00026  -0.00019  -0.00242  -0.00262   0.02732
   D246      -3.09589  -0.00020  -0.00011  -0.00263  -0.00270  -3.09859
   D247       3.12805   0.00033   0.00034   0.00675   0.00706   3.13511
   D248       0.00223   0.00039   0.00042   0.00654   0.00697   0.00920
   D249       0.03411  -0.00040  -0.00024  -0.00491  -0.00512   0.02899
   D250       3.13144   0.00035   0.00029   0.00716   0.00742   3.13886
   D251      -3.09453  -0.00037  -0.00003  -0.00603  -0.00598  -3.10050
   D252       0.00281   0.00038   0.00050   0.00604   0.00656   0.00937
   D253      -0.02895  -0.00001  -0.00040   0.00125   0.00073  -0.02822
   D254       3.07997   0.00084   0.00050   0.01371   0.01416   3.09413
   D255      -3.12628  -0.00077  -0.00093  -0.01088  -0.01185  -3.13813
   D256      -0.01736   0.00008  -0.00003   0.00158   0.00158  -0.01578
   D257      -0.03822   0.00087   0.00090   0.01046   0.01115  -0.02707
   D258       3.05195   0.00110   0.00068   0.01760   0.01825   3.07020
   D259       3.13608  -0.00005  -0.00010  -0.00235  -0.00254   3.13353
   D260      -0.05694   0.00018  -0.00032   0.00479   0.00456  -0.05238
   D261      -0.03266   0.00069   0.00068   0.00810   0.00865  -0.02401
   D262      -3.14025  -0.00022  -0.00027  -0.00484  -0.00516   3.13777
   D263       3.05455   0.00108   0.00083   0.01760   0.01851   3.07306
   D264      -0.05305   0.00018  -0.00012   0.00466   0.00470  -0.04835
   D265      -0.02727  -0.00009  -0.00029  -0.00045  -0.00082  -0.02809
   D266      -3.12591  -0.00078  -0.00092  -0.01128  -0.01225  -3.13816
   D267       3.08038   0.00074   0.00055   0.01213   0.01271   3.09310
   D268      -0.01825   0.00004  -0.00007   0.00130   0.00128  -0.01697
   D269       0.02954  -0.00027  -0.00019  -0.00272  -0.00291   0.02663
   D270      -3.09675  -0.00028  -0.00017  -0.00401  -0.00415  -3.10091
   D271       3.12819   0.00041   0.00043   0.00806   0.00847   3.13667
   D272       0.00190   0.00040   0.00044   0.00677   0.00723   0.00913
   D273       0.02939  -0.00028  -0.00015  -0.00281  -0.00294   0.02645
   D274       3.12785   0.00041   0.00042   0.00819   0.00861   3.13645
   D275      -3.09653  -0.00030  -0.00010  -0.00455  -0.00463  -3.10116
   D276       0.00193   0.00039   0.00046   0.00644   0.00692   0.00885
   D277      -0.02762  -0.00005  -0.00029   0.00037   0.00002  -0.02760
   D278       3.07980   0.00075   0.00051   0.01242   0.01296   3.09276
   D279      -3.12606  -0.00075  -0.00086  -0.01067  -0.01158  -3.13764
   D280      -0.01865   0.00005  -0.00006   0.00137   0.00137  -0.01728
   D281      -0.03263   0.00064   0.00059   0.00727   0.00773  -0.02490
   D282       3.05381   0.00105   0.00073   0.01697   0.01778   3.07159
   D283      -3.14000  -0.00024  -0.00031  -0.00513  -0.00549   3.13769
   D284      -0.05355   0.00018  -0.00016   0.00457   0.00455  -0.04900
   D285      -0.03261   0.00081   0.00083   0.00979   0.01043  -0.02218
   D286      -3.13978  -0.00010  -0.00014  -0.00300  -0.00323   3.14018
   D287       3.05285   0.00116   0.00088   0.01840   0.01930   3.07215
   D288      -0.05432   0.00025  -0.00009   0.00561   0.00564  -0.04868
   D289      -0.02868  -0.00007  -0.00034   0.00015  -0.00030  -0.02899
   D290      -3.12575  -0.00081  -0.00096  -0.01151  -0.01252  -3.13826
   D291       3.07852   0.00077   0.00053   0.01257   0.01308   3.09160
   D292      -0.01854   0.00003  -0.00010   0.00092   0.00086  -0.01768
   D293       0.03006  -0.00033  -0.00022  -0.00365  -0.00385   0.02622
   D294      -3.09477  -0.00034  -0.00016  -0.00518  -0.00527  -3.10004
   D295       3.12714   0.00040   0.00040   0.00795   0.00832   3.13546
   D296       0.00231   0.00039   0.00046   0.00642   0.00690   0.00921
         Item               Value     Threshold  Converged?
 Maximum Force            0.033284     0.000450     NO 
 RMS     Force            0.007660     0.000300     NO 
 Maximum Displacement     0.685161     0.001800     NO 
 RMS     Displacement     0.137857     0.001200     NO 
 Predicted change in Energy=-4.457654D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.003405    2.900561    0.090620
      2          6           0       -2.259073    1.531531   -0.066509
      3          6           0       -1.238884    0.567342   -0.078767
      4          6           0        0.111696    1.006168    0.011890
      5          6           0        0.367568    2.378068    0.178424
      6          6           0       -0.655677    3.309069    0.226112
      7          6           0       -1.528783   -0.860098   -0.219340
      8          6           0       -0.458018   -1.798631   -0.332510
      9          6           0        0.897037   -1.330775   -0.265331
     10          6           0        1.206273    0.056746   -0.074714
     11          6           0       -2.842881   -1.345022   -0.198190
     12          6           0       -3.157423   -2.705875   -0.333011
     13          6           0       -2.086017   -3.617424   -0.483752
     14          6           0       -0.781069   -3.165513   -0.475458
     15          7           0        1.942656   -2.180615   -0.346406
     16          6           0        3.241072   -1.766886   -0.296779
     17          6           0        3.476777   -0.372839   -0.102859
     18          7           0        2.456944    0.508703   -0.007565
     19          6           0        4.327045   -2.651385   -0.414246
     20          6           0        5.615684   -2.166185   -0.349869
     21          6           0        5.887762   -0.776911   -0.164412
     22          6           0        4.808066    0.093544   -0.044230
     23          7           0       -3.056947    3.823901    0.097636
     24          7           0       -4.486531   -3.136162   -0.310214
     25          7           0        7.207457   -0.316054   -0.098261
     26          6           0       -4.943034   -4.389333    0.147531
     27          6           0       -6.354487   -4.434599    0.007714
     28          6           0       -6.771622   -3.160077   -0.540751
     29          6           0       -5.599957   -2.382736   -0.730545
     30          6           0       -2.989416    5.161528   -0.338066
     31          6           0       -4.266849    5.757719   -0.170421
     32          6           0       -5.143574    4.742886    0.376807
     33          6           0       -4.369112    3.564781    0.537517
     34          6           0        7.650157    0.798263    0.640331
     35          6           0        9.049228    0.939875    0.451180
     36          6           0        9.472232   -0.131463   -0.427641
     37          6           0        8.315404   -0.885895   -0.754425
     38          6           0       -8.029619   -2.652840   -0.880422
     39          6           0       -8.117289   -1.378289   -1.437846
     40          6           0       -6.948886   -0.636424   -1.683002
     41          6           0       -5.686044   -1.128875   -1.352092
     42          6           0       -4.268531   -5.452243    0.765812
     43          6           0       -5.005411   -6.574716    1.144193
     44          6           0       -6.394995   -6.648585    0.947241
     45          6           0       -7.077527   -5.568221    0.391724
     46          6           0       -6.494178    4.767113    0.739246
     47          6           0       -7.066948    3.622762    1.291153
     48          6           0       -6.280221    2.478022    1.508538
     49          6           0       -4.931428    2.437839    1.154402
     50          6           0       -1.959611    5.884720   -0.958134
     51          6           0       -2.199454    7.212676   -1.311785
     52          6           0       -3.445013    7.824446   -1.088600
     53          6           0       -4.489668    7.090715   -0.530281
     54          6           0       10.722707   -0.475564   -0.950552
     55          6           0       10.816194   -1.555172   -1.826870
     56          6           0        9.658678   -2.260524   -2.197828
     57          6           0        8.403595   -1.931181   -1.685366
     58          6           0        6.975785    1.636927    1.539104
     59          6           0        7.696998    2.656729    2.160127
     60          6           0        9.070942    2.839955    1.926037
     61          6           0        9.755965    1.969418    1.080551
     62          1           0       -3.271200    1.224129   -0.295338
     63          1           0        1.390072    2.713457    0.289173
     64          1           0       -0.399745    4.339121    0.433495
     65          1           0       -3.643042   -0.659692    0.046850
     66          1           0       -2.263091   -4.667211   -0.670599
     67          1           0       -0.009899   -3.918235   -0.591687
     68          1           0        1.771428   -3.164082   -0.508598
     69          1           0        4.160150   -3.717967   -0.516389
     70          1           0        6.422381   -2.886658   -0.357140
     71          1           0        4.937382    1.164898    0.020901
     72          1           0       -8.921396   -3.249155   -0.720437
     73          1           0       -9.084534   -0.969515   -1.708658
     74          1           0       -7.017724    0.336698   -2.155316
     75          1           0       -4.813624   -0.546430   -1.621245
     76          1           0       -3.212943   -5.421062    1.002754
     77          1           0       -4.485788   -7.398164    1.620625
     78          1           0       -6.939448   -7.533900    1.256603
     79          1           0       -8.155086   -5.597347    0.271287
     80          1           0       -7.081490    5.668687    0.601885
     81          1           0       -8.112123    3.624074    1.580441
     82          1           0       -6.718007    1.604915    1.978495
     83          1           0       -4.353670    1.556528    1.404165
     84          1           0       -1.003664    5.444725   -1.211027
     85          1           0       -1.403235    7.773864   -1.787813
     86          1           0       -3.600727    8.857922   -1.377920
     87          1           0       -5.466550    7.540051   -0.387653
     88          1           0       11.603381    0.099705   -0.686173
     89          1           0       11.777055   -1.833144   -2.245685
     90          1           0        9.729935   -3.070622   -2.914848
     91          1           0        7.535826   -2.463775   -2.054177
     92          1           0        5.934927    1.498406    1.803150
     93          1           0        7.178835    3.308085    2.854661
     94          1           0        9.603301    3.640805    2.427282
     95          1           0       10.823598    2.077366    0.922311
     96         17           0        1.679241   -2.966213    2.390610
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0492819           0.0190238           0.0143928
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7914.9698750967 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999990   -0.003356   -0.000307   -0.002946 Ang=  -0.51 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.53232275     A.U. after   17 cycles
            NFock= 17  Conv=0.14D-08     -V/T= 2.0087
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.010159801   -0.005807145   -0.000807588
      2        6          -0.002123245    0.000948678   -0.007236396
      3        6           0.005155420    0.008016003   -0.000175219
      4        6          -0.006919216   -0.001193664    0.000710979
      5        6          -0.004094756    0.001281914   -0.000284124
      6        6           0.000558925   -0.001939051    0.005725760
      7        6           0.003975793   -0.007047827    0.000518400
      8        6          -0.003582489   -0.000344562   -0.001086560
      9        6          -0.000074689    0.000792508   -0.001256302
     10        6           0.004965066   -0.000330730   -0.000698026
     11        6          -0.002131813   -0.001171076    0.006606275
     12        6           0.009191105    0.006293549    0.000822332
     13        6           0.000292483    0.002131902   -0.006014467
     14        6          -0.002042952   -0.000342900    0.000669672
     15        7          -0.001239686    0.006056991   -0.003960266
     16        6           0.002713980    0.003098004    0.000160209
     17        6           0.002273373   -0.005457621   -0.000104289
     18        7          -0.004735216   -0.000837107    0.000598098
     19        6           0.000136148    0.002512323   -0.000507085
     20        6          -0.001343685   -0.003576412    0.005841923
     21        6          -0.009773931   -0.002803637   -0.001270917
     22        6           0.002565400    0.000829376   -0.006094164
     23        7           0.002108638    0.000154048    0.000420807
     24        7           0.002936949    0.000699216    0.000086699
     25        7          -0.001431955   -0.002408228    0.000185660
     26        6          -0.005647377   -0.005864635    0.005499801
     27        6           0.000298094    0.001567705   -0.002048194
     28        6           0.001431730   -0.000422287    0.001994216
     29        6          -0.007249202   -0.002254436   -0.005561128
     30        6          -0.005415026    0.004683777   -0.005725841
     31        6           0.000003941   -0.001541108    0.002014428
     32        6           0.001491846    0.000718065   -0.002014440
     33        6          -0.007204102    0.002054471    0.005484342
     34        6           0.005652305    0.004366377    0.006575148
     35        6          -0.000325330   -0.001080461   -0.002403037
     36        6          -0.001220303    0.000126505    0.002206904
     37        6           0.006418270    0.003747732   -0.005484652
     38        6           0.001018659    0.003527870   -0.001540146
     39        6           0.003335671   -0.000532191    0.000368695
     40        6          -0.000819457   -0.004145975    0.000541429
     41        6          -0.000072986    0.000461071   -0.001032585
     42        6           0.000517282    0.000702365    0.000520970
     43        6          -0.003757781    0.001006363   -0.000766611
     44        6           0.000974840    0.003263116   -0.000485740
     45        6           0.003500616   -0.000720235    0.001649936
     46        6           0.001123752   -0.003529676    0.001574889
     47        6           0.003289007    0.000818598   -0.000308164
     48        6          -0.000992811    0.004068224   -0.000602430
     49        6          -0.000195943   -0.000629722    0.000943375
     50        6           0.000415207   -0.000485492   -0.000693744
     51        6          -0.003656254   -0.001353731    0.000525140
     52        6           0.001129557   -0.003172465    0.000442333
     53        6           0.003557549    0.000912439   -0.001470316
     54        6          -0.001075421   -0.003085444   -0.002227637
     55        6          -0.003262700    0.000402769    0.000718455
     56        6           0.000772942    0.003563143    0.001437583
     57        6          -0.000585586    0.000112008   -0.000896073
     58        6          -0.000388745   -0.000411782    0.000650037
     59        6           0.003805099   -0.000800812   -0.001032878
     60        6          -0.000857764   -0.003099277   -0.001121765
     61        6          -0.003454233    0.000271029    0.001979618
     62        1           0.001542357    0.001477747    0.002279009
     63        1           0.001965815   -0.001169907   -0.000267495
     64        1          -0.002285786    0.000094960   -0.000719897
     65        1           0.001548409   -0.001339769   -0.002112128
     66        1          -0.002071901   -0.000205045    0.000931348
     67        1           0.001018516    0.000740905    0.001244794
     68        1          -0.000689057   -0.001101784    0.007893664
     69        1          -0.001116603   -0.000728117    0.000814335
     70        1           0.000820509    0.002232623   -0.000260850
     71        1           0.000876845   -0.000391957    0.000884428
     72        1          -0.000487596   -0.000662247    0.000071516
     73        1          -0.000601096    0.000419670    0.000134740
     74        1          -0.000663093    0.000905011   -0.000322212
     75        1           0.000038191   -0.001163287    0.001381175
     76        1          -0.000225192    0.001102013   -0.001494080
     77        1           0.000549600   -0.000864069    0.000376524
     78        1           0.000097306   -0.000739387   -0.000112484
     79        1          -0.000810256   -0.000091159   -0.000132695
     80        1          -0.000522733    0.000618957   -0.000076668
     81        1          -0.000549491   -0.000457907   -0.000143000
     82        1          -0.000602494   -0.000918842    0.000339289
     83        1           0.000027156    0.001256511   -0.001250698
     84        1          -0.000204733   -0.001102466    0.001799867
     85        1           0.000489222    0.000951027   -0.000292249
     86        1           0.000056082    0.000740457    0.000151117
     87        1          -0.000823739    0.000052217    0.000121802
     88        1           0.000466537    0.000640209    0.000242596
     89        1           0.000625349   -0.000409301    0.000003109
     90        1           0.000575446   -0.000792437   -0.000510823
     91        1          -0.000445540    0.000480102    0.001726880
     92        1           0.000465378   -0.000333536   -0.001850278
     93        1          -0.000524298    0.000800549    0.000582563
     94        1          -0.000135336    0.000746798    0.000021924
     95        1           0.000787355    0.000170660   -0.000117934
     96       17           0.000714080   -0.003757648   -0.003900519
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010159801 RMS     0.002697954

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007481166 RMS     0.001575284
 Search for a local minimum.
 Step number   4 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 DE= -5.22D-02 DEPred=-4.46D-02 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 6.29D-01 DXNew= 8.4853D-01 1.8865D+00
 Trust test= 1.17D+00 RLast= 6.29D-01 DXMaxT set to 8.49D-01
 ITU=  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.01936   0.02697   0.02702   0.02717   0.02727
     Eigenvalues ---    0.02736   0.02746   0.02756   0.02761   0.02768
     Eigenvalues ---    0.02773   0.02776   0.02781   0.02784   0.02789
     Eigenvalues ---    0.02789   0.02791   0.02794   0.02794   0.02795
     Eigenvalues ---    0.02807   0.02814   0.02822   0.02822   0.02824
     Eigenvalues ---    0.02824   0.02825   0.02825   0.02826   0.02828
     Eigenvalues ---    0.02835   0.02837   0.02841   0.02845   0.02846
     Eigenvalues ---    0.02846   0.02846   0.02848   0.02848   0.02857
     Eigenvalues ---    0.02859   0.02860   0.02869   0.02871   0.02871
     Eigenvalues ---    0.02871   0.02873   0.02874   0.02874   0.02874
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02878   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02895   0.02899   0.02899   0.02900   0.02900
     Eigenvalues ---    0.02904   0.02908   0.02911   0.02912   0.02914
     Eigenvalues ---    0.02916   0.02917   0.02921   0.02935   0.02952
     Eigenvalues ---    0.02954   0.02958   0.02984   0.03022   0.03024
     Eigenvalues ---    0.03027   0.03033   0.03127   0.03128   0.03135
     Eigenvalues ---    0.03135   0.03142   0.03261   0.06317   0.15648
     Eigenvalues ---    0.15894   0.15907   0.15943   0.15950   0.15952
     Eigenvalues ---    0.15966   0.15973   0.15980   0.15981   0.15982
     Eigenvalues ---    0.15983   0.15984   0.15990   0.15991   0.15992
     Eigenvalues ---    0.15992   0.15992   0.15992   0.15993   0.15995
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16059   0.17427   0.21992
     Eigenvalues ---    0.21995   0.21996   0.21996   0.21996   0.22000
     Eigenvalues ---    0.22393   0.22419   0.22433   0.22547   0.22586
     Eigenvalues ---    0.22586   0.22590   0.22590   0.22626   0.22992
     Eigenvalues ---    0.23486   0.23497   0.23547   0.24003   0.24395
     Eigenvalues ---    0.24397   0.24409   0.24442   0.24445   0.24586
     Eigenvalues ---    0.24604   0.24618   0.24887   0.24888   0.24933
     Eigenvalues ---    0.24937   0.24938   0.24946   0.24951   0.24964
     Eigenvalues ---    0.24990   0.24992   0.24998   0.24999   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25028   0.26057   0.33224
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33284   0.33323   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33396   0.33399   0.33461   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33625   0.33719
     Eigenvalues ---    0.33806   0.33845   0.33862   0.33880   0.33886
     Eigenvalues ---    0.33900   0.33905   0.33937   0.33950   0.33953
     Eigenvalues ---    0.34778   0.34792   0.42587   0.44438   0.44446
     Eigenvalues ---    0.44449   0.44991   0.45844   0.48365   0.48929
     Eigenvalues ---    0.48937   0.48962   0.49536   0.49630   0.50060
     Eigenvalues ---    0.50381   0.50388   0.50416   0.50544   0.50553
     Eigenvalues ---    0.50572   0.50739   0.51858   0.52460   0.53409
     Eigenvalues ---    0.54072   0.54095   0.54192   0.54196   0.54210
     Eigenvalues ---    0.54366   0.54693   0.54828   0.54998   0.55419
     Eigenvalues ---    0.55470   0.55575   0.55710   0.55857   0.55899
     Eigenvalues ---    0.55937   0.56120   0.56126   0.56145   0.56246
     Eigenvalues ---    0.56349   0.56659   0.56661   0.56662   0.56663
     Eigenvalues ---    0.56673   0.56678   0.56712   0.56714   0.56817
     Eigenvalues ---    0.56903   0.56913   0.57092   0.57159   0.57161
     Eigenvalues ---    0.57165   0.57174   0.57178   0.58416   0.59930
     Eigenvalues ---    0.62100   0.63870   0.65983   0.66072   0.67573
     Eigenvalues ---    0.67624   0.67727   0.69320   0.69784   0.69942
     Eigenvalues ---    0.74038   0.76345
 RFO step:  Lambda=-1.51604087D-02 EMin= 1.93567290D-02
 Quartic linear search produced a step of  0.12104.
 Iteration  1 RMS(Cart)=  0.24332777 RMS(Int)=  0.00649336
 Iteration  2 RMS(Cart)=  0.02444221 RMS(Int)=  0.00008859
 Iteration  3 RMS(Cart)=  0.00020077 RMS(Int)=  0.00007926
 Iteration  4 RMS(Cart)=  0.00000002 RMS(Int)=  0.00007926
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64852  -0.00222   0.00240  -0.00432  -0.00188   2.64664
    R2        2.67355  -0.00332   0.00415  -0.00666  -0.00248   2.67106
    R3        2.64734   0.00748   0.00687   0.01082   0.01769   2.66504
    R4        2.65276   0.00064   0.00276   0.00123   0.00400   2.65676
    R5        2.04515  -0.00254  -0.00062  -0.00760  -0.00822   2.03693
    R6        2.68903  -0.00489   0.00435  -0.00937  -0.00505   2.68398
    R7        2.76533   0.00526   0.00764   0.01010   0.01774   2.78307
    R8        2.65593  -0.00099   0.00388  -0.00229   0.00155   2.65749
    R9        2.74304   0.00229   0.00665   0.00383   0.01047   2.75351
   R10        2.61580  -0.00254   0.00296  -0.00511  -0.00217   2.61363
   R11        2.04428   0.00102  -0.00235   0.00341   0.00106   2.04534
   R12        2.04363  -0.00004  -0.00176   0.00003  -0.00173   2.04190
   R13        2.69919  -0.00337   0.00475  -0.00668  -0.00198   2.69722
   R14        2.64727   0.00029   0.00254   0.00062   0.00314   2.65041
   R15        2.71199  -0.00056   0.00578  -0.00178   0.00400   2.71599
   R16        2.66790  -0.00193   0.00453  -0.00414   0.00037   2.66827
   R17        2.71041  -0.00179   0.00567  -0.00433   0.00130   2.71171
   R18        2.55086  -0.00121   0.00154  -0.00248  -0.00089   2.54997
   R19        2.51621  -0.00257   0.00284  -0.00366  -0.00089   2.51532
   R20        2.65171  -0.00262   0.00241  -0.00508  -0.00265   2.64906
   R21        2.04403  -0.00236  -0.00065  -0.00705  -0.00771   2.03633
   R22        2.67351  -0.00314   0.00425  -0.00636  -0.00207   2.67145
   R23        2.64034   0.00679   0.00658   0.00980   0.01639   2.65673
   R24        2.60973  -0.00234   0.00281  -0.00478  -0.00196   2.60777
   R25        2.04258  -0.00009  -0.00190  -0.00008  -0.00199   2.04060
   R26        2.04824   0.00040  -0.00205   0.00145  -0.00060   2.04764
   R27        2.57691   0.00004   0.00381  -0.00047   0.00340   2.58031
   R28        1.91118   0.00124  -0.00169   0.00243   0.00081   1.91199
   R29        5.40402   0.00285   0.00681   0.03504   0.04244   5.44647
   R30        2.69677  -0.00375   0.00619  -0.00733  -0.00113   2.69564
   R31        2.65604  -0.00204   0.00437  -0.00432   0.00004   2.65608
   R32        2.55376   0.00285   0.00560   0.00362   0.00918   2.56293
   R33        2.66798   0.00054   0.00405   0.00075   0.00479   2.67277
   R34        2.60491  -0.00178   0.00197  -0.00350  -0.00152   2.60339
   R35        2.04919   0.00057  -0.00246   0.00205  -0.00041   2.04878
   R36        2.69808  -0.00076   0.00484  -0.00172   0.00313   2.70121
   R37        2.04396  -0.00035  -0.00174  -0.00091  -0.00264   2.04132
   R38        2.63064  -0.00339   0.00127  -0.00646  -0.00518   2.62547
   R39        2.64451   0.00659   0.00681   0.00943   0.01624   2.66075
   R40        2.04297  -0.00045  -0.00171  -0.00125  -0.00296   2.04002
   R41        2.66153   0.00262   0.00775   0.00386   0.01162   2.67314
   R42        2.66070   0.00483   0.00741   0.00765   0.01507   2.67577
   R43        2.66469   0.00312   0.00796   0.00464   0.01261   2.67730
   R44        2.66180   0.00505   0.00756   0.00799   0.01556   2.67735
   R45        2.66123   0.00398   0.00767   0.00612   0.01380   2.67503
   R46        2.66097   0.00335   0.00767   0.00510   0.01278   2.67375
   R47        2.68168  -0.00271   0.00443  -0.00617  -0.00174   2.67994
   R48        2.65034  -0.00264   0.00266  -0.00515  -0.00248   2.64786
   R49        2.73797  -0.00148   0.00788  -0.00442   0.00345   2.74142
   R50        2.64248  -0.00081   0.00355  -0.00190   0.00165   2.64413
   R51        2.68120  -0.00156   0.00425  -0.00309   0.00117   2.68237
   R52        2.64239  -0.00077   0.00354  -0.00178   0.00177   2.64416
   R53        2.64959  -0.00164   0.00247  -0.00303  -0.00056   2.64904
   R54        2.68274  -0.00249   0.00450  -0.00574  -0.00123   2.68150
   R55        2.65100  -0.00264   0.00266  -0.00515  -0.00248   2.64853
   R56        2.73716  -0.00170   0.00788  -0.00475   0.00311   2.74028
   R57        2.64293  -0.00085   0.00356  -0.00197   0.00160   2.64453
   R58        2.68151  -0.00149   0.00427  -0.00290   0.00138   2.68289
   R59        2.64297  -0.00074   0.00356  -0.00170   0.00186   2.64483
   R60        2.65016  -0.00158   0.00247  -0.00291  -0.00043   2.64973
   R61        2.68130  -0.00207   0.00432  -0.00443  -0.00010   2.68120
   R62        2.64962  -0.00223   0.00255  -0.00426  -0.00170   2.64791
   R63        2.73784  -0.00149   0.00786  -0.00433   0.00352   2.74136
   R64        2.64261  -0.00074   0.00355  -0.00173   0.00182   2.64443
   R65        2.68195  -0.00201   0.00441  -0.00445  -0.00002   2.68193
   R66        2.64260  -0.00085   0.00354  -0.00194   0.00160   2.64420
   R67        2.65037  -0.00229   0.00261  -0.00441  -0.00179   2.64858
   R68        2.63404  -0.00263   0.00357  -0.00542  -0.00186   2.63218
   R69        2.04968   0.00082  -0.00192   0.00273   0.00081   2.05049
   R70        2.65614  -0.00323   0.00445  -0.00657  -0.00213   2.65401
   R71        2.04928   0.00060  -0.00228   0.00211  -0.00018   2.04911
   R72        2.63668  -0.00078   0.00348  -0.00171   0.00177   2.63845
   R73        2.04823   0.00109  -0.00239   0.00365   0.00126   2.04949
   R74        2.04650  -0.00113  -0.00177  -0.00330  -0.00507   2.04143
   R75        2.63623  -0.00089   0.00345  -0.00184   0.00161   2.63783
   R76        2.04526  -0.00029  -0.00179  -0.00070  -0.00249   2.04276
   R77        2.65585  -0.00272   0.00441  -0.00536  -0.00097   2.65488
   R78        2.04847   0.00106  -0.00240   0.00356   0.00116   2.04963
   R79        2.63319  -0.00222   0.00348  -0.00447  -0.00101   2.63218
   R80        2.04921   0.00061  -0.00229   0.00214  -0.00016   2.04906
   R81        2.04971   0.00082  -0.00191   0.00273   0.00082   2.05053
   R82        2.63358  -0.00270   0.00356  -0.00556  -0.00201   2.63157
   R83        2.04984   0.00081  -0.00190   0.00270   0.00080   2.05064
   R84        2.65681  -0.00321   0.00450  -0.00654  -0.00206   2.65475
   R85        2.04935   0.00058  -0.00228   0.00206  -0.00022   2.04914
   R86        2.63633  -0.00085   0.00345  -0.00184   0.00161   2.63794
   R87        2.04827   0.00108  -0.00240   0.00363   0.00123   2.04950
   R88        2.04658  -0.00114  -0.00176  -0.00335  -0.00511   2.04147
   R89        2.63619  -0.00092   0.00343  -0.00192   0.00151   2.63771
   R90        2.04526  -0.00035  -0.00178  -0.00089  -0.00267   2.04259
   R91        2.65605  -0.00271   0.00443  -0.00538  -0.00096   2.65510
   R92        2.04885   0.00106  -0.00239   0.00356   0.00117   2.05002
   R93        2.63302  -0.00223   0.00347  -0.00448  -0.00103   2.63199
   R94        2.04931   0.00059  -0.00229   0.00210  -0.00019   2.04912
   R95        2.04976   0.00083  -0.00191   0.00276   0.00085   2.05060
   R96        2.63359  -0.00233   0.00350  -0.00474  -0.00125   2.63234
   R97        2.04965   0.00082  -0.00190   0.00274   0.00084   2.05049
   R98        2.65570  -0.00282   0.00442  -0.00566  -0.00125   2.65445
   R99        2.04922   0.00060  -0.00230   0.00212  -0.00017   2.04905
   R100       2.63637  -0.00081   0.00345  -0.00174   0.00171   2.63808
   R101       2.04881   0.00105  -0.00239   0.00353   0.00114   2.04995
   R102       2.04641  -0.00063  -0.00176  -0.00176  -0.00352   2.04289
   R103       2.63602  -0.00083   0.00344  -0.00179   0.00165   2.63768
   R104       2.04605  -0.00072  -0.00178  -0.00205  -0.00383   2.04222
   R105       2.65645  -0.00287   0.00444  -0.00578  -0.00135   2.65510
   R106       2.04853   0.00107  -0.00240   0.00361   0.00121   2.04974
   R107       2.63340  -0.00245   0.00350  -0.00498  -0.00149   2.63191
   R108       2.04930   0.00060  -0.00229   0.00211  -0.00018   2.04912
   R109       2.04975   0.00081  -0.00190   0.00270   0.00080   2.05055
   R110       5.49422  -0.00598  -0.01247  -0.16619  -0.17930   5.31492
    A1        2.05619   0.00145   0.00888   0.00517   0.01411   2.07030
    A2        2.10271   0.00294  -0.00555   0.01267   0.00709   2.10980
    A3        2.12423  -0.00439  -0.00332  -0.01787  -0.02122   2.10300
    A4        2.14044  -0.00140  -0.00779  -0.00433  -0.01214   2.12830
    A5        2.06208   0.00016   0.00531  -0.00069   0.00453   2.06661
    A6        2.07455   0.00130   0.00287   0.00667   0.00945   2.08400
    A7        2.06849  -0.00015   0.00255  -0.00053   0.00198   2.07047
    A8        2.12570   0.00048  -0.00339   0.00164  -0.00178   2.12392
    A9        2.08859  -0.00031   0.00092  -0.00075   0.00011   2.08870
   A10        2.07301   0.00089   0.00195   0.00351   0.00541   2.07842
   A11        2.10622   0.00027  -0.00022   0.00120   0.00098   2.10719
   A12        2.10394  -0.00116  -0.00174  -0.00474  -0.00644   2.09750
   A13        2.12472  -0.00028  -0.00127  -0.00139  -0.00271   2.12200
   A14        2.07926  -0.00195  -0.00418  -0.01170  -0.01585   2.06341
   A15        2.07906   0.00223   0.00546   0.01314   0.01862   2.09768
   A16        2.10213  -0.00048  -0.00426  -0.00186  -0.00611   2.09601
   A17        2.11628  -0.00212  -0.00171  -0.01320  -0.01492   2.10135
   A18        2.06268   0.00261   0.00605   0.01526   0.02131   2.08399
   A19        2.09445  -0.00034   0.00027  -0.00131  -0.00104   2.09341
   A20        2.12005   0.00055  -0.00238   0.00177  -0.00055   2.11950
   A21        2.06799  -0.00020   0.00215  -0.00036   0.00171   2.06970
   A22        2.08278   0.00010  -0.00241   0.00002  -0.00241   2.08037
   A23        2.06310   0.00114   0.00227   0.00505   0.00719   2.07029
   A24        2.13700  -0.00126   0.00011  -0.00544  -0.00531   2.13169
   A25        2.12371   0.00075   0.00336   0.00262   0.00590   2.12961
   A26        2.12156  -0.00061  -0.00213  -0.00076  -0.00291   2.11865
   A27        2.03759  -0.00014  -0.00122  -0.00183  -0.00296   2.03463
   A28        2.06928  -0.00049  -0.00200  -0.00235  -0.00437   2.06491
   A29        2.07518   0.00050  -0.00133   0.00316   0.00186   2.07704
   A30        2.13835  -0.00001   0.00333  -0.00075   0.00256   2.14091
   A31        2.14662  -0.00160  -0.00756  -0.00534  -0.01293   2.13369
   A32        2.06920   0.00141   0.00240   0.00692   0.00931   2.07852
   A33        2.06055   0.00021   0.00544  -0.00082   0.00462   2.06517
   A34        2.05481   0.00155   0.00907   0.00542   0.01452   2.06933
   A35        2.10636   0.00286  -0.00532   0.01236   0.00701   2.11337
   A36        2.12199  -0.00440  -0.00375  -0.01782  -0.02159   2.10040
   A37        2.09915  -0.00002  -0.00431   0.00009  -0.00421   2.09494
   A38        2.11780  -0.00211  -0.00143  -0.01255  -0.01402   2.10378
   A39        2.06423   0.00215   0.00587   0.01302   0.01886   2.08309
   A40        2.13371  -0.00083  -0.00153  -0.00396  -0.00556   2.12815
   A41        2.11815  -0.00084  -0.00214  -0.00545  -0.00760   2.11055
   A42        2.03131   0.00168   0.00369   0.00948   0.01316   2.04447
   A43        2.14643   0.00072   0.00197   0.00437   0.00593   2.15235
   A44        2.08369  -0.00065  -0.00335  -0.00268  -0.00659   2.07711
   A45        1.61493   0.00252   0.00287   0.03126   0.03353   1.64846
   A46        2.05113  -0.00003   0.00173   0.00144   0.00256   2.05369
   A47        1.70744   0.00116   0.00227   0.02341   0.02511   1.73255
   A48        2.04721  -0.00039  -0.00277  -0.00195  -0.00457   2.04263
   A49        2.14328  -0.00090  -0.00098  -0.00290  -0.00395   2.13933
   A50        2.09264   0.00129   0.00374   0.00486   0.00854   2.10118
   A51        2.12018  -0.00039   0.00348  -0.00157   0.00192   2.12210
   A52        2.07611  -0.00025  -0.00108  -0.00137  -0.00246   2.07364
   A53        2.08654   0.00063  -0.00242   0.00277   0.00031   2.08686
   A54        2.07585   0.00021  -0.00474   0.00233  -0.00251   2.07335
   A55        2.09081  -0.00049  -0.00168  -0.00232  -0.00400   2.08681
   A56        2.10358  -0.00096   0.00058  -0.00643  -0.00588   2.09770
   A57        2.08804   0.00143   0.00106   0.00840   0.00943   2.09747
   A58        2.12552  -0.00075  -0.00405  -0.00246  -0.00650   2.11903
   A59        2.05155   0.00275   0.00671   0.01566   0.02236   2.07391
   A60        2.10238  -0.00198  -0.00251  -0.01265  -0.01521   2.08717
   A61        2.06218   0.00127   0.00822   0.00486   0.01310   2.07529
   A62        2.10167  -0.00173  -0.00478  -0.00689  -0.01170   2.08998
   A63        2.11930   0.00046  -0.00344   0.00198  -0.00148   2.11782
   A64        2.11906  -0.00106  -0.00516  -0.00361  -0.00876   2.11030
   A65        2.02935   0.00139   0.00381   0.00722   0.01100   2.04036
   A66        2.13186  -0.00031   0.00151  -0.00294  -0.00147   2.13039
   A67        2.19983  -0.00195  -0.00029  -0.00991  -0.01022   2.18961
   A68        2.19091   0.00537  -0.00213   0.02054   0.01840   2.20932
   A69        1.89243  -0.00342   0.00242  -0.01061  -0.00818   1.88426
   A70        2.19808  -0.00183   0.00006  -0.00953  -0.00948   2.18859
   A71        2.19241   0.00525  -0.00223   0.01997   0.01772   2.21013
   A72        1.89265  -0.00342   0.00216  -0.01039  -0.00820   1.88445
   A73        2.19177   0.00196  -0.00135   0.00646   0.00510   2.19686
   A74        2.19778   0.00127  -0.00094   0.00356   0.00260   2.20038
   A75        1.89364  -0.00324   0.00229  -0.01001  -0.00770   1.88594
   A76        1.89480   0.00152  -0.00226   0.00675   0.00448   1.89928
   A77        2.29287  -0.00341  -0.00449  -0.01364  -0.01814   2.27472
   A78        2.09163   0.00188   0.00678   0.00657   0.01336   2.10499
   A79        1.87087   0.00066   0.00109  -0.00074   0.00033   1.87120
   A80        2.10958  -0.00157  -0.00462  -0.00490  -0.00949   2.10010
   A81        2.30262   0.00092   0.00352   0.00561   0.00912   2.31175
   A82        1.87008   0.00092   0.00107   0.00125   0.00230   1.87238
   A83        2.30511   0.00011   0.00369   0.00112   0.00479   2.30990
   A84        2.10796  -0.00103  -0.00476  -0.00240  -0.00714   2.10082
   A85        1.89631   0.00032  -0.00206   0.00321   0.00114   1.89745
   A86        2.29049  -0.00078  -0.00500  -0.00430  -0.00931   2.28118
   A87        2.09271   0.00044   0.00709   0.00065   0.00775   2.10046
   A88        1.89565   0.00162  -0.00241   0.00711   0.00469   1.90034
   A89        2.29367  -0.00335  -0.00431  -0.01335  -0.01766   2.27600
   A90        2.09007   0.00172   0.00675   0.00601   0.01278   2.10285
   A91        1.87028   0.00056   0.00111  -0.00101   0.00008   1.87037
   A92        2.10975  -0.00152  -0.00466  -0.00467  -0.00931   2.10044
   A93        2.30307   0.00096   0.00355   0.00567   0.00921   2.31228
   A94        1.86934   0.00085   0.00108   0.00109   0.00215   1.87149
   A95        2.30539   0.00016   0.00375   0.00119   0.00493   2.31031
   A96        2.10841  -0.00101  -0.00483  -0.00232  -0.00714   2.10127
   A97        1.89701   0.00039  -0.00219   0.00348   0.00128   1.89829
   A98        2.29027  -0.00079  -0.00497  -0.00431  -0.00930   2.28098
   A99        2.09225   0.00038   0.00721   0.00047   0.00770   2.09994
   A100       1.89550   0.00084  -0.00220   0.00473   0.00252   1.89802
   A101       2.28934  -0.00208  -0.00478  -0.00886  -0.01365   2.27569
   A102       2.09440   0.00123   0.00703   0.00402   0.01106   2.10546
   A103       1.87020   0.00070   0.00108   0.00017   0.00123   1.87143
   A104       2.10809  -0.00133  -0.00473  -0.00383  -0.00855   2.09954
   A105       2.30481   0.00063   0.00365   0.00363   0.00728   2.31209
   A106       1.87001   0.00071   0.00111   0.00004   0.00114   1.87115
   A107       2.30482   0.00067   0.00357   0.00400   0.00756   2.31238
   A108       2.10829  -0.00138  -0.00468  -0.00408  -0.00874   2.09954
   A109       1.89540   0.00099  -0.00226   0.00510   0.00283   1.89823
   A110       2.29213  -0.00229  -0.00446  -0.00951  -0.01398   2.27815
   A111       2.09181   0.00129   0.00676   0.00426   0.01104   2.10286
   A112       2.07765   0.00059   0.00051   0.00194   0.00244   2.08010
   A113       2.09951  -0.00037  -0.00212  -0.00120  -0.00332   2.09620
   A114       2.10597  -0.00023   0.00161  -0.00076   0.00085   2.10682
   A115       2.09450   0.00027   0.00126   0.00009   0.00131   2.09581
   A116       2.09514   0.00006  -0.00049   0.00119   0.00071   2.09585
   A117       2.09315  -0.00032  -0.00072  -0.00115  -0.00187   2.09128
   A118       2.12318   0.00010   0.00083   0.00018   0.00098   2.12416
   A119       2.09103  -0.00042   0.00100  -0.00246  -0.00148   2.08955
   A120       2.06884   0.00032  -0.00179   0.00241   0.00061   2.06945
   A121       2.06727  -0.00037  -0.00481  -0.00031  -0.00511   2.06217
   A122       2.14322  -0.00107  -0.00206  -0.00703  -0.00909   2.13413
   A123       2.07186   0.00144   0.00691   0.00744   0.01435   2.08621
   A124       2.06614  -0.00090  -0.00474  -0.00332  -0.00805   2.05809
   A125       2.14568  -0.00123  -0.00177  -0.00815  -0.00993   2.13575
   A126       2.07029   0.00214   0.00654   0.01167   0.01821   2.08850
   A127       2.12533  -0.00019   0.00093  -0.00070   0.00021   2.12554
   A128       2.06829   0.00032  -0.00187   0.00195   0.00007   2.06837
   A129       2.08935  -0.00012   0.00097  -0.00112  -0.00015   2.08919
   A130       2.09373   0.00045   0.00118   0.00178   0.00292   2.09665
   A131       2.09365  -0.00043  -0.00070  -0.00207  -0.00276   2.09089
   A132       2.09531  -0.00001  -0.00043   0.00047   0.00004   2.09536
   A133       2.07689   0.00035   0.00053   0.00088   0.00140   2.07829
   A134       2.10013  -0.00030  -0.00211  -0.00099  -0.00310   2.09704
   A135       2.10606  -0.00005   0.00158   0.00011   0.00170   2.10775
   A136       2.07749   0.00058   0.00051   0.00190   0.00240   2.07989
   A137       2.09953  -0.00035  -0.00213  -0.00112  -0.00325   2.09627
   A138       2.10610  -0.00023   0.00162  -0.00080   0.00082   2.10693
   A139       2.09420   0.00028   0.00128   0.00010   0.00135   2.09555
   A140       2.09526   0.00007  -0.00049   0.00126   0.00078   2.09604
   A141       2.09329  -0.00034  -0.00074  -0.00125  -0.00199   2.09130
   A142       2.12376   0.00013   0.00087   0.00024   0.00108   2.12484
   A143       2.09083  -0.00042   0.00100  -0.00247  -0.00147   2.08935
   A144       2.06844   0.00030  -0.00184   0.00235   0.00051   2.06895
   A145       2.06710  -0.00035  -0.00490  -0.00025  -0.00515   2.06194
   A146       2.14297  -0.00109  -0.00208  -0.00715  -0.00924   2.13373
   A147       2.07222   0.00145   0.00703   0.00744   0.01447   2.08669
   A148       2.06756  -0.00079  -0.00468  -0.00282  -0.00750   2.06006
   A149       2.14371  -0.00139  -0.00192  -0.00898  -0.01092   2.13279
   A150       2.07101   0.00219   0.00665   0.01212   0.01875   2.08976
   A151       2.12521  -0.00019   0.00091  -0.00077   0.00011   2.12532
   A152       2.06891   0.00036  -0.00181   0.00224   0.00042   2.06932
   A153       2.08889  -0.00016   0.00095  -0.00133  -0.00040   2.08849
   A154       2.09306   0.00043   0.00116   0.00168   0.00280   2.09586
   A155       2.09403  -0.00042  -0.00070  -0.00201  -0.00271   2.09133
   A156       2.09566  -0.00000  -0.00042   0.00054   0.00012   2.09578
   A157       2.07780   0.00036   0.00059   0.00099   0.00157   2.07938
   A158       2.09958  -0.00030  -0.00216  -0.00102  -0.00317   2.09640
   A159       2.10572  -0.00006   0.00157   0.00004   0.00161   2.10733
   A160       2.07800   0.00046   0.00063   0.00140   0.00202   2.08002
   A161       2.09950  -0.00033  -0.00215  -0.00111  -0.00326   2.09624
   A162       2.10560  -0.00013   0.00152  -0.00029   0.00124   2.10684
   A163       2.09387   0.00039   0.00116   0.00118   0.00231   2.09617
   A164       2.09540   0.00000  -0.00041   0.00067   0.00027   2.09567
   A165       2.09349  -0.00038  -0.00070  -0.00168  -0.00239   2.09110
   A166       2.12415  -0.00010   0.00083  -0.00050   0.00031   2.12445
   A167       2.08916  -0.00022   0.00094  -0.00151  -0.00058   2.08859
   A168       2.06969   0.00032  -0.00174   0.00215   0.00040   2.07008
   A169       2.06727  -0.00065  -0.00462  -0.00202  -0.00663   2.06064
   A170       2.14387  -0.00118  -0.00178  -0.00771  -0.00951   2.13436
   A171       2.07111   0.00185   0.00645   0.01003   0.01646   2.08757
   A172       2.06462  -0.00066  -0.00485  -0.00191  -0.00676   2.05786
   A173       2.14381  -0.00114  -0.00186  -0.00753  -0.00940   2.13442
   A174       2.07373   0.00181   0.00676   0.00970   0.01645   2.09018
   A175       2.12526  -0.00005   0.00092  -0.00032   0.00057   2.12583
   A176       2.06847   0.00031  -0.00183   0.00215   0.00031   2.06878
   A177       2.08927  -0.00025   0.00095  -0.00169  -0.00074   2.08853
   A178       2.09447   0.00038   0.00122   0.00111   0.00230   2.09677
   A179       2.09335  -0.00039  -0.00072  -0.00171  -0.00242   2.09092
   A180       2.09492   0.00002  -0.00046   0.00079   0.00033   2.09525
   A181       2.07664   0.00044   0.00052   0.00137   0.00188   2.07852
   A182       2.10024  -0.00031  -0.00210  -0.00101  -0.00310   2.09715
   A183       2.10620  -0.00013   0.00158  -0.00036   0.00122   2.10742
    D1        0.01239  -0.00004  -0.00129  -0.00040  -0.00166   0.01074
    D2       -3.00910  -0.00071  -0.00503  -0.01690  -0.02190  -3.03101
    D3       -3.14032  -0.00019  -0.00029  -0.00353  -0.00380   3.13907
    D4        0.12137  -0.00086  -0.00402  -0.02003  -0.02404   0.09733
    D5        0.02018  -0.00023   0.00055  -0.00564  -0.00507   0.01511
    D6       -3.05051  -0.00047  -0.00101  -0.00965  -0.01059  -3.06110
    D7       -3.11015  -0.00012  -0.00044  -0.00267  -0.00313  -3.11328
    D8        0.10235  -0.00036  -0.00200  -0.00668  -0.00865   0.09369
    D9       -2.61757   0.00578   0.00809   0.13414   0.14224  -2.47533
   D10        0.51763   0.00596   0.00744   0.13811   0.14557   0.66320
   D11        0.51247   0.00565   0.00927   0.13104   0.14030   0.65277
   D12       -2.63552   0.00583   0.00862   0.13501   0.14362  -2.49189
   D13       -0.05057   0.00039   0.00156   0.00894   0.01046  -0.04011
   D14        3.12152  -0.00013  -0.00065  -0.00475  -0.00540   3.11612
   D15        2.97011   0.00099   0.00550   0.02506   0.03056   3.00067
   D16       -0.14099   0.00047   0.00329   0.01137   0.01470  -0.12629
   D17        0.05591  -0.00047  -0.00089  -0.01130  -0.01229   0.04362
   D18       -3.07866  -0.00025  -0.00068  -0.00614  -0.00688  -3.08554
   D19       -3.11551   0.00006   0.00115   0.00214   0.00320  -3.11230
   D20        0.03311   0.00028   0.00136   0.00729   0.00862   0.04173
   D21        3.05587   0.00024   0.00048   0.00661   0.00706   3.06294
   D22       -0.12645   0.00034   0.00161   0.00941   0.01101  -0.11544
   D23       -0.05488  -0.00029  -0.00180  -0.00724  -0.00899  -0.06388
   D24        3.04598  -0.00020  -0.00067  -0.00443  -0.00504   3.04093
   D25       -0.02535   0.00024   0.00055   0.00570   0.00627  -0.01908
   D26        3.09771   0.00038   0.00103   0.00931   0.01034   3.10805
   D27        3.10923   0.00002   0.00035   0.00058   0.00092   3.11014
   D28       -0.05089   0.00016   0.00083   0.00419   0.00498  -0.04591
   D29        0.00945   0.00013   0.00031   0.00422   0.00446   0.01390
   D30        3.12253   0.00010   0.00042   0.00610   0.00641   3.12894
   D31       -3.12500   0.00035   0.00051   0.00944   0.00988  -3.11512
   D32       -0.01191   0.00032   0.00062   0.01132   0.01184  -0.00008
   D33       -0.01343   0.00009  -0.00023   0.00290   0.00267  -0.01075
   D34        3.05940   0.00014   0.00095   0.00568   0.00671   3.06610
   D35       -3.13649   0.00000  -0.00060  -0.00045  -0.00111  -3.13760
   D36       -0.06367   0.00005   0.00058   0.00232   0.00292  -0.06074
   D37        0.03326  -0.00018   0.00045  -0.00451  -0.00406   0.02920
   D38       -3.13433  -0.00083  -0.00087  -0.02018  -0.02116   3.12770
   D39       -3.06880  -0.00028  -0.00052  -0.00728  -0.00784  -3.07665
   D40        0.04679  -0.00094  -0.00184  -0.02295  -0.02494   0.02185
   D41        3.13909   0.00063   0.00113   0.01407   0.01507  -3.12902
   D42       -0.13022   0.00086   0.00404   0.02123   0.02521  -0.10501
   D43       -0.04264   0.00071   0.00220   0.01681   0.01890  -0.02373
   D44        2.97124   0.00095   0.00511   0.02397   0.02904   3.00029
   D45        0.01018   0.00062   0.00128   0.01658   0.01788   0.02806
   D46        3.12351   0.00055   0.00122   0.01799   0.01921  -3.14047
   D47       -3.10427   0.00127   0.00265   0.03277   0.03542  -3.06885
   D48        0.00906   0.00120   0.00259   0.03418   0.03674   0.04580
   D49       -0.02132   0.00061   0.00126   0.01468   0.01594  -0.00538
   D50        3.11314   0.00111   0.00268   0.02764   0.03029  -3.13975
   D51        3.09342  -0.00005  -0.00013  -0.00141  -0.00163   3.09178
   D52       -0.05531   0.00046   0.00129   0.01155   0.01272  -0.04259
   D53       -0.03171  -0.00064  -0.00168  -0.01648  -0.01815  -0.04986
   D54        3.13948  -0.00062  -0.00171  -0.01850  -0.02016   3.11932
   D55        3.13685  -0.00056  -0.00160  -0.01784  -0.01940   3.11745
   D56        0.02486  -0.00054  -0.00163  -0.01986  -0.02142   0.00344
   D57        3.13208   0.00018   0.00163   0.02338   0.02499  -3.12611
   D58        0.05896  -0.00068  -0.00329  -0.03204  -0.03487   0.02409
   D59       -1.38792   0.00339   0.00650   0.07326   0.07958  -1.30833
   D60       -0.03644   0.00013   0.00165   0.02479   0.02639  -0.01006
   D61       -3.10957  -0.00073  -0.00328  -0.03063  -0.03347   3.14014
   D62        1.72674   0.00334   0.00651   0.07467   0.08097   1.80772
   D63       -3.12904   0.00049   0.00060   0.00297   0.00366  -3.12538
   D64       -0.01714   0.00045   0.00063   0.00490   0.00558  -0.01156
   D65        0.01059  -0.00005  -0.00132  -0.00096  -0.00223   0.00836
   D66       -3.13717  -0.00040  -0.00097  -0.00912  -0.01009   3.13592
   D67       -3.00389  -0.00037  -0.00399  -0.00862  -0.01263  -3.01651
   D68        0.13154  -0.00072  -0.00364  -0.01678  -0.02049   0.11105
   D69        0.01674  -0.00034   0.00033  -0.00822  -0.00787   0.00887
   D70       -3.05571  -0.00083  -0.00197  -0.01844  -0.02028  -3.07599
   D71       -3.11862  -0.00000  -0.00002  -0.00010  -0.00018  -3.11880
   D72        0.09211  -0.00049  -0.00232  -0.01032  -0.01259   0.07953
   D73       -2.62014   0.00573   0.00828   0.13308   0.14131  -2.47883
   D74        0.51024   0.00598   0.00779   0.13882   0.14657   0.65681
   D75        0.51505   0.00538   0.00871   0.12469   0.13343   0.64848
   D76       -2.63776   0.00564   0.00822   0.13043   0.13870  -2.49907
   D77       -0.01102   0.00003  -0.00037   0.00115   0.00080  -0.01022
   D78        3.13737  -0.00044  -0.00166  -0.01114  -0.01296   3.12441
   D79        3.06352   0.00034   0.00154   0.01008   0.01179   3.07531
   D80       -0.07128  -0.00013   0.00024  -0.00222  -0.00197  -0.07324
   D81        0.03920   0.00032  -0.00069  -0.01511  -0.01581   0.02340
   D82       -3.11374   0.00029  -0.00065  -0.01398  -0.01466  -3.12840
   D83        3.11352   0.00114   0.00385   0.03918   0.04296  -3.12670
   D84       -0.03942   0.00110   0.00389   0.04031   0.04411   0.00469
   D85       -1.67440  -0.00369  -0.00604  -0.06990  -0.07574  -1.75014
   D86        1.45584  -0.00372  -0.00600  -0.06877  -0.07459   1.38125
   D87       -0.02997  -0.00039  -0.00042  -0.00099  -0.00142  -0.03139
   D88        3.14012   0.00008   0.00066   0.00614   0.00681  -3.13625
   D89        3.12263  -0.00034  -0.00042  -0.00204  -0.00246   3.12017
   D90        0.00954   0.00013   0.00066   0.00509   0.00577   0.01531
   D91       -3.13704   0.00006   0.00005  -0.00202  -0.00193  -3.13897
   D92       -0.03734  -0.00039  -0.00108  -0.01165  -0.01261  -0.04995
   D93       -0.00709   0.00002   0.00005  -0.00090  -0.00083  -0.00791
   D94        3.09262  -0.00044  -0.00108  -0.01053  -0.01151   3.08111
   D95        0.01971   0.00003   0.00043   0.00570   0.00608   0.02578
   D96        3.13263  -0.00046  -0.00064  -0.00155  -0.00226   3.13037
   D97       -0.00586  -0.00008  -0.00053  -0.00322  -0.00375  -0.00960
   D98        3.05551   0.00020   0.00165   0.00601   0.00772   3.06323
   D99       -3.11951   0.00040   0.00046   0.00385   0.00429  -3.11522
   D100      -0.05814   0.00068   0.00264   0.01307   0.01575  -0.04239
   D101       0.00083  -0.00022  -0.00093  -0.00528  -0.00618  -0.00535
   D102       3.05008  -0.00009   0.00067   0.00077   0.00157   3.05164
   D103      -3.09925   0.00029   0.00020   0.00462   0.00488  -3.09437
   D104      -0.05000   0.00042   0.00180   0.01067   0.01262  -0.03738
   D105       0.00288   0.00026   0.00101   0.00705   0.00810   0.01098
   D106       3.13746   0.00001   0.00011   0.00003   0.00014   3.13759
   D107      -3.04372  -0.00012  -0.00117  -0.00066  -0.00166  -3.04538
   D108       0.09086  -0.00038  -0.00206  -0.00768  -0.00962   0.08123
   D109      -0.00026  -0.00011  -0.00027  -0.00267  -0.00296  -0.00322
   D110      -3.05688  -0.00048  -0.00267  -0.01290  -0.01557  -3.07245
   D111      -3.13476   0.00016   0.00063   0.00446   0.00518  -3.12958
   D112       0.09180  -0.00021  -0.00176  -0.00577  -0.00743   0.08437
   D113      -2.60668   0.00550   0.00895   0.12744   0.13635  -2.47033
   D114       0.53319   0.00559   0.00922   0.12967   0.13885   0.67204
   D115       0.52766   0.00524   0.00802   0.12019   0.12824   0.65591
   D116      -2.61565   0.00533   0.00829   0.12243   0.13075  -2.48490
   D117       3.13889  -0.00018  -0.00030  -0.00429  -0.00464   3.13425
   D118       0.09363  -0.00019  -0.00120  -0.00201  -0.00327   0.09036
   D119       0.00278  -0.00036   0.00026  -0.00780  -0.00754  -0.00476
   D120      -3.04248  -0.00037  -0.00064  -0.00552  -0.00617  -3.04865
   D121      -3.13259   0.00004  -0.00027   0.00155   0.00123  -3.13136
   D122       0.10324   0.00021  -0.00135   0.00614   0.00473   0.10798
   D123       0.00355   0.00020  -0.00083   0.00491   0.00406   0.00761
   D124      -3.04380   0.00036  -0.00190   0.00950   0.00756  -3.03624
   D125       3.13917  -0.00000   0.00001  -0.00048  -0.00054   3.13863
   D126       0.09495   0.00002  -0.00076   0.00286   0.00201   0.09696
   D127       0.00719  -0.00027   0.00044  -0.00557  -0.00513   0.00207
   D128      -3.03702  -0.00025  -0.00032  -0.00224  -0.00259  -3.03961
   D129      -3.13287  -0.00011  -0.00059  -0.00221  -0.00285  -3.13572
   D130       0.10320   0.00009  -0.00152   0.00341   0.00181   0.10501
   D131      -0.00085   0.00011  -0.00101   0.00266   0.00162   0.00077
   D132      -3.04797   0.00031  -0.00195   0.00828   0.00629  -3.04168
   D133      -3.14143  -0.00009  -0.00037  -0.00160  -0.00197   3.13979
   D134       0.09804  -0.00012  -0.00134  -0.00065  -0.00201   0.09603
   D135       0.00164  -0.00017  -0.00059  -0.00351  -0.00411  -0.00247
   D136      -3.04208  -0.00020  -0.00157  -0.00257  -0.00415  -3.04623
   D137      -3.13682  -0.00006  -0.00018  -0.00091  -0.00110  -3.13792
   D138       0.10152  -0.00007  -0.00110   0.00058  -0.00053   0.10098
   D139       0.00329   0.00002   0.00005   0.00102   0.00105   0.00434
   D140      -3.04155   0.00001  -0.00087   0.00251   0.00161  -3.03994
   D141      -0.01057   0.00032   0.00029   0.00623   0.00654  -0.00402
   D142      -3.13799   0.00040   0.00054   0.00767   0.00821  -3.12979
   D143       3.04681  -0.00005   0.00028   0.00201   0.00229   3.04910
   D144      -0.08061   0.00003   0.00052   0.00346   0.00395  -0.07666
   D145       3.11278  -0.00021  -0.00064  -0.00893  -0.00955   3.10323
   D146       0.02180  -0.00051  -0.00172  -0.01407  -0.01575   0.00605
   D147       0.07764  -0.00013  -0.00098  -0.00512  -0.00608   0.07156
   D148      -3.01334  -0.00042  -0.00206  -0.01026  -0.01228  -3.02562
   D149       0.00994  -0.00026  -0.00086  -0.00459  -0.00549   0.00444
   D150      -3.14109  -0.00043  -0.00082  -0.00959  -0.01046   3.13164
   D151       3.13518  -0.00037  -0.00123  -0.00639  -0.00767   3.12752
   D152      -0.01584  -0.00055  -0.00118  -0.01139  -0.01264  -0.02847
   D153       0.02690   0.00003  -0.00011  -0.00032  -0.00037   0.02653
   D154      -3.13032   0.00000  -0.00006  -0.00001  -0.00005  -3.13037
   D155      -3.09650   0.00014   0.00025   0.00163   0.00193  -3.09457
   D156       0.02946   0.00011   0.00030   0.00194   0.00225   0.03171
   D157      -0.00564   0.00010   0.00118   0.00123   0.00242  -0.00323
   D158       3.05402  -0.00015   0.00127  -0.00399  -0.00272   3.05131
   D159      -3.13909   0.00025   0.00109   0.00553   0.00661  -3.13248
   D160      -0.07942  -0.00001   0.00118   0.00031   0.00147  -0.07795
   D161      -3.10698   0.00030  -0.00040   0.00775   0.00740  -3.09958
   D162       0.02392   0.00018  -0.00020   0.00513   0.00495   0.02887
   D163       0.02413   0.00011  -0.00031   0.00221   0.00195   0.02608
   D164      -3.12816  -0.00000  -0.00011  -0.00042  -0.00050  -3.12866
   D165       3.11780  -0.00038  -0.00111  -0.00999  -0.01108   3.10672
   D166       0.02038  -0.00055  -0.00250  -0.01304  -0.01550   0.00487
   D167       0.07950  -0.00014  -0.00164  -0.00392  -0.00553   0.07396
   D168      -3.01793  -0.00031  -0.00302  -0.00697  -0.00995  -3.02788
   D169      -0.00785   0.00038   0.00039   0.00759   0.00801   0.00016
   D170      -3.13702   0.00042   0.00056   0.00821   0.00878  -3.12823
   D171       3.05057   0.00006   0.00051   0.00435   0.00488   3.05545
   D172      -0.07860   0.00010   0.00068   0.00497   0.00566  -0.07294
   D173       3.11242  -0.00022  -0.00061  -0.00917  -0.00979   3.10263
   D174       0.01732  -0.00065  -0.00213  -0.01752  -0.01959  -0.00227
   D175       0.07601  -0.00019  -0.00110  -0.00656  -0.00766   0.06834
   D176      -3.01909  -0.00062  -0.00262  -0.01492  -0.01746  -3.03655
   D177       0.00990  -0.00025  -0.00085  -0.00454  -0.00543   0.00447
   D178       3.14048  -0.00045  -0.00086  -0.01001  -0.01092   3.12957
   D179       3.13715  -0.00032  -0.00112  -0.00538  -0.00653   3.13061
   D180      -0.01545  -0.00052  -0.00113  -0.01084  -0.01202  -0.02748
   D181       0.02615   0.00002  -0.00018  -0.00072  -0.00085   0.02529
   D182      -3.12945   0.00002   0.00000   0.00030   0.00032  -3.12913
   D183      -3.09947   0.00008   0.00007   0.00018   0.00028  -3.09919
   D184       0.02811   0.00008   0.00025   0.00119   0.00146   0.02957
   D185      -0.00832   0.00004   0.00107  -0.00020   0.00087  -0.00746
   D186       3.05155  -0.00018   0.00127  -0.00451  -0.00323   3.04832
   D187      -3.14040   0.00020   0.00101   0.00450   0.00549  -3.13492
   D188      -0.08053  -0.00001   0.00121   0.00019   0.00138  -0.07915
   D189      -3.10459   0.00033  -0.00033   0.00842   0.00813  -3.09645
   D190       0.02496   0.00020  -0.00020   0.00546   0.00528   0.03024
   D191       0.02475   0.00012  -0.00030   0.00237   0.00212   0.02687
   D192      -3.12889  -0.00001  -0.00017  -0.00059  -0.00074  -3.12962
   D193       3.11874  -0.00034  -0.00106  -0.00902  -0.01005   3.10869
   D194       0.02338  -0.00043  -0.00223  -0.01026  -0.01246   0.01092
   D195       0.08013  -0.00015  -0.00172  -0.00409  -0.00579   0.07434
   D196      -3.01523  -0.00025  -0.00289  -0.00533  -0.00820  -3.02343
   D197      -0.00579   0.00025   0.00090   0.00458   0.00549  -0.00030
   D198      -3.13520   0.00034   0.00094   0.00697   0.00789  -3.12731
   D199       3.05076   0.00006   0.00102   0.00290   0.00396   3.05472
   D200      -0.07865   0.00015   0.00106   0.00529   0.00636  -0.07229
   D201       3.10922  -0.00026  -0.00097  -0.00856  -0.00953   3.09968
   D202       0.01691  -0.00060  -0.00237  -0.01527  -0.01759  -0.00068
   D203       0.07477  -0.00025  -0.00152  -0.00745  -0.00897   0.06580
   D204      -3.01754  -0.00059  -0.00292  -0.01415  -0.01703  -3.03457
   D205       0.00771  -0.00023  -0.00083  -0.00392  -0.00478   0.00293
   D206       3.13643  -0.00039  -0.00104  -0.00754  -0.00864   3.12779
   D207       3.13521  -0.00035  -0.00096  -0.00677  -0.00776   3.12745
   D208      -0.01925  -0.00051  -0.00117  -0.01039  -0.01161  -0.03087
   D209       0.02688   0.00000  -0.00031  -0.00072  -0.00098   0.02591
   D210      -3.12999  -0.00002  -0.00010  -0.00065  -0.00072  -3.13072
   D211      -3.09903   0.00012  -0.00021   0.00241   0.00223  -3.09681
   D212       0.02727   0.00010  -0.00000   0.00248   0.00248   0.02976
   D213      -0.00680   0.00013   0.00051   0.00180   0.00232  -0.00448
   D214       3.05106  -0.00009   0.00063  -0.00040   0.00025   3.05131
   D215      -3.13726   0.00025   0.00063   0.00486   0.00547  -3.13179
   D216      -0.07941   0.00003   0.00075   0.00266   0.00341  -0.07600
   D217      -3.10081   0.00019  -0.00007   0.00368   0.00365  -3.09717
   D218       0.02684   0.00016   0.00017   0.00374   0.00392   0.03076
   D219       0.02646   0.00002  -0.00027  -0.00031  -0.00054   0.02592
   D220      -3.12907  -0.00000  -0.00003  -0.00025  -0.00026  -3.12933
   D221       3.11296  -0.00013  -0.00056  -0.00560  -0.00615   3.10681
   D222       0.01847  -0.00051  -0.00209  -0.01330  -0.01533   0.00314
   D223       0.07713  -0.00010  -0.00107  -0.00388  -0.00495   0.07217
   D224      -3.01737  -0.00048  -0.00260  -0.01159  -0.01413  -3.03150
   D225       0.02870  -0.00006  -0.00059  -0.00102  -0.00162   0.02708
   D226       3.14007   0.00015   0.00101   0.00379   0.00478  -3.13833
   D227      -3.10216   0.00006  -0.00077   0.00162   0.00088  -3.10128
   D228       0.00921   0.00026   0.00084   0.00643   0.00728   0.01649
   D229      -0.02748  -0.00012   0.00011  -0.00277  -0.00270  -0.03017
   D230       3.09619   0.00024   0.00187   0.00552   0.00737   3.10356
   D231      -3.13888  -0.00033  -0.00150  -0.00761  -0.00912   3.13518
   D232      -0.01521   0.00003   0.00026   0.00068   0.00094  -0.01427
   D233      -0.02731   0.00023   0.00126   0.00525   0.00648  -0.02084
   D234       3.07195   0.00033   0.00233   0.00781   0.01019   3.08213
   D235       3.13198  -0.00011  -0.00052  -0.00289  -0.00345   3.12853
   D236      -0.05194  -0.00002   0.00055  -0.00033   0.00025  -0.05169
   D237      -0.02413   0.00021   0.00104   0.00398   0.00498  -0.01915
   D238       3.13971  -0.00009  -0.00041  -0.00250  -0.00294   3.13677
   D239       3.06908   0.00040   0.00182   0.00833   0.01020   3.07927
   D240      -0.05026   0.00009   0.00037   0.00186   0.00227  -0.04799
   D241      -0.02911  -0.00005  -0.00017  -0.00052  -0.00072  -0.02983
   D242      -3.13693  -0.00032  -0.00135  -0.00692  -0.00828   3.13797
   D243       3.08997   0.00027   0.00124   0.00606   0.00729   3.09726
   D244      -0.01785  -0.00000   0.00006  -0.00034  -0.00026  -0.01811
   D245       0.02732  -0.00008  -0.00032  -0.00133  -0.00165   0.02567
   D246      -3.09859  -0.00005  -0.00033  -0.00163  -0.00193  -3.10051
   D247       3.13511   0.00018   0.00085   0.00503   0.00587   3.14098
   D248       0.00920   0.00021   0.00084   0.00473   0.00559   0.01479
   D249       0.02899  -0.00005  -0.00062  -0.00089  -0.00152   0.02748
   D250       3.13886   0.00013   0.00090   0.00318   0.00406  -3.14026
   D251      -3.10050   0.00008  -0.00072   0.00208   0.00138  -3.09912
   D252       0.00937   0.00025   0.00079   0.00615   0.00696   0.01632
   D253      -0.02822  -0.00014   0.00009  -0.00322  -0.00317  -0.03139
   D254       3.09413   0.00019   0.00171   0.00430   0.00599   3.10012
   D255      -3.13813  -0.00032  -0.00143  -0.00733  -0.00877   3.13628
   D256      -0.01578   0.00001   0.00019   0.00019   0.00038  -0.01540
   D257      -0.02707   0.00025   0.00135   0.00570   0.00702  -0.02005
   D258       3.07020   0.00028   0.00221   0.00651   0.00874   3.07894
   D259       3.13353  -0.00006  -0.00031  -0.00167  -0.00202   3.13151
   D260      -0.05238  -0.00004   0.00055  -0.00086  -0.00029  -0.05268
   D261      -0.02401   0.00022   0.00105   0.00429   0.00529  -0.01872
   D262       3.13777  -0.00015  -0.00063  -0.00374  -0.00442   3.13335
   D263       3.07306   0.00054   0.00224   0.01173   0.01405   3.08711
   D264      -0.04835   0.00017   0.00057   0.00371   0.00435  -0.04401
   D265      -0.02809  -0.00002  -0.00010   0.00024   0.00012  -0.02797
   D266      -3.13816  -0.00035  -0.00148  -0.00771  -0.00920   3.13583
   D267       3.09310   0.00036   0.00154   0.00840   0.00994   3.10303
   D268      -0.01697   0.00003   0.00016   0.00045   0.00062  -0.01635
   D269       0.02663  -0.00011  -0.00035  -0.00204  -0.00239   0.02424
   D270      -3.10091  -0.00011  -0.00050  -0.00305  -0.00354  -3.10444
   D271       3.13667   0.00022   0.00103   0.00588   0.00690  -3.13962
   D272       0.00913   0.00022   0.00088   0.00487   0.00576   0.01489
   D273       0.02645  -0.00006  -0.00036  -0.00089  -0.00125   0.02520
   D274       3.13645   0.00021   0.00104   0.00545   0.00649  -3.14024
   D275      -3.10116  -0.00003  -0.00056  -0.00094  -0.00149  -3.10265
   D276       0.00885   0.00023   0.00084   0.00540   0.00625   0.01510
   D277      -0.02760  -0.00004   0.00000  -0.00050  -0.00052  -0.02811
   D278       3.09276   0.00031   0.00157   0.00707   0.00864   3.10141
   D279      -3.13764  -0.00031  -0.00140  -0.00687  -0.00828   3.13726
   D280      -0.01728   0.00004   0.00017   0.00070   0.00088  -0.01640
   D281      -0.02490   0.00016   0.00094   0.00304   0.00394  -0.02096
   D282       3.07159   0.00045   0.00215   0.00995   0.01217   3.08376
   D283       3.13769  -0.00018  -0.00067  -0.00441  -0.00511   3.13258
   D284      -0.04900   0.00011   0.00055   0.00250   0.00312  -0.04588
   D285      -0.02218   0.00026   0.00126   0.00547   0.00668  -0.01550
   D286       3.14018  -0.00010  -0.00039  -0.00256  -0.00300   3.13718
   D287       3.07215   0.00050   0.00234   0.01141   0.01380   3.08594
   D288      -0.04868   0.00014   0.00068   0.00339   0.00412  -0.04456
   D289      -0.02899  -0.00005  -0.00004  -0.00079  -0.00086  -0.02984
   D290      -3.13826  -0.00035  -0.00151  -0.00779  -0.00931   3.13561
   D291       3.09160   0.00032   0.00158   0.00737   0.00894   3.10054
   D292      -0.01768   0.00002   0.00010   0.00037   0.00048  -0.01720
   D293       0.02622  -0.00009  -0.00047  -0.00162  -0.00209   0.02413
   D294      -3.10004  -0.00007  -0.00064  -0.00169  -0.00230  -3.10234
   D295       3.13546   0.00020   0.00101   0.00534   0.00634  -3.14138
   D296       0.00921   0.00023   0.00083   0.00527   0.00612   0.01533
         Item               Value     Threshold  Converged?
 Maximum Force            0.007481     0.000450     NO 
 RMS     Force            0.001575     0.000300     NO 
 Maximum Displacement     1.206476     0.001800     NO 
 RMS     Displacement     0.258731     0.001200     NO 
 Predicted change in Energy=-1.001340D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.016377    2.925767    0.123313
      2          6           0       -2.284333    1.563186   -0.058590
      3          6           0       -1.259220    0.601686   -0.093267
      4          6           0        0.087938    1.039124    0.011952
      5          6           0        0.349468    2.408008    0.200064
      6          6           0       -0.671744    3.338666    0.262465
      7          6           0       -1.549460   -0.833279   -0.253217
      8          6           0       -0.477541   -1.767127   -0.380193
      9          6           0        0.877416   -1.292498   -0.313255
     10          6           0        1.189009    0.090075   -0.088404
     11          6           0       -2.865023   -1.319346   -0.240997
     12          6           0       -3.159957   -2.683034   -0.376925
     13          6           0       -2.089455   -3.595038   -0.520914
     14          6           0       -0.787347   -3.138090   -0.515083
     15          7           0        1.924174   -2.136123   -0.429170
     16          6           0        3.225952   -1.730958   -0.354069
     17          6           0        3.460663   -0.344819   -0.112501
     18          7           0        2.438692    0.539600    0.000559
     19          6           0        4.304762   -2.621212   -0.492470
     20          6           0        5.594533   -2.145431   -0.402709
     21          6           0        5.863426   -0.759730   -0.177408
     22          6           0        4.795215    0.117004   -0.034160
     23          7           0       -3.062010    3.871672    0.151484
     24          7           0       -4.487825   -3.144298   -0.354471
     25          7           0        7.195367   -0.312274   -0.086807
     26          6           0       -4.928865   -4.346383    0.251912
     27          6           0       -6.330315   -4.463595    0.069185
     28          6           0       -6.766374   -3.293226   -0.668792
     29          6           0       -5.616200   -2.499990   -0.919224
     30          6           0       -3.010616    5.168611   -0.410926
     31          6           0       -4.254186    5.814988   -0.188971
     32          6           0       -5.097631    4.883315    0.534459
     33          6           0       -4.339974    3.699771    0.736452
     34          6           0        7.678965    0.678522    0.801047
     35          6           0        9.071749    0.842906    0.586068
     36          6           0        9.455312   -0.077289   -0.467758
     37          6           0        8.283435   -0.771886   -0.865765
     38          6           0       -8.021631   -2.885716   -1.133663
     39          6           0       -8.123259   -1.708774   -1.871645
     40          6           0       -6.971088   -0.962972   -2.169539
     41          6           0       -5.709034   -1.348843   -1.713775
     42          6           0       -4.230616   -5.278259    1.031261
     43          6           0       -4.941296   -6.364842    1.543857
     44          6           0       -6.318449   -6.522643    1.315160
     45          6           0       -7.021090   -5.563540    0.589514
     46          6           0       -6.404590    4.979912    1.025740
     47          6           0       -6.940683    3.913320    1.742836
     48          6           0       -6.161396    2.771835    1.994400
     49          6           0       -4.857279    2.651768    1.511169
     50          6           0       -2.016334    5.785541   -1.182363
     51          6           0       -2.256441    7.078802   -1.649400
     52          6           0       -3.462115    7.749428   -1.383544
     53          6           0       -4.471020    7.113200   -0.664383
     54          6           0       10.678272   -0.338740   -1.095383
     55          6           0       10.723806   -1.265048   -2.134739
     56          6           0        9.547353   -1.902251   -2.562571
     57          6           0        8.316661   -1.659498   -1.949941
     58          6           0        7.030879    1.362908    1.837871
     59          6           0        7.780733    2.265579    2.593622
     60          6           0        9.147586    2.479878    2.348933
     61          6           0        9.801278    1.758021    1.353266
     62          1           0       -3.298365    1.263429   -0.267748
     63          1           0        1.379416    2.721971    0.310111
     64          1           0       -0.436291    4.370950    0.478076
     65          1           0       -3.671775   -0.641859   -0.014416
     66          1           0       -2.281417   -4.644401   -0.688357
     67          1           0       -0.002967   -3.879307   -0.612329
     68          1           0        1.746587   -3.119606   -0.587060
     69          1           0        4.122990   -3.682402   -0.619950
     70          1           0        6.412592   -2.850475   -0.426452
     71          1           0        4.938154    1.181456    0.074906
     72          1           0       -8.899876   -3.489341   -0.929435
     73          1           0       -9.089217   -1.377678   -2.236470
     74          1           0       -7.052330   -0.066517   -2.774520
     75          1           0       -4.839356   -0.780328   -2.009494
     76          1           0       -3.184459   -5.159684    1.276254
     77          1           0       -4.409222   -7.094453    2.144656
     78          1           0       -6.838027   -7.381116    1.726016
     79          1           0       -8.091749   -5.655642    0.439068
     80          1           0       -6.983454    5.882515    0.859056
     81          1           0       -7.952174    3.971625    2.129253
     82          1           0       -6.571399    1.960844    2.586378
     83          1           0       -4.269192    1.784596    1.774246
     84          1           0       -1.098133    5.281235   -1.448654
     85          1           0       -1.489435    7.567448   -2.240813
     86          1           0       -3.613129    8.756009   -1.757440
     87          1           0       -5.419326    7.608320   -0.482489
     88          1           0       11.574534    0.185866   -0.780921
     89          1           0       11.663977   -1.479703   -2.630452
     90          1           0        9.584585   -2.594280   -3.397117
     91          1           0        7.423903   -2.127261   -2.340906
     92          1           0        5.994485    1.185441    2.087470
     93          1           0        7.288169    2.804009    3.396114
     94          1           0        9.697758    3.193185    2.952513
     95          1           0       10.864411    1.889252    1.180126
     96         17           0        1.624713   -3.229455    2.220683
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0478819           0.0189019           0.0144651
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7877.7151053992 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.58D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999996   -0.002392   -0.001112    0.000415 Ang=  -0.31 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.54365675     A.U. after   18 cycles
            NFock= 18  Conv=0.40D-08     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.003359678   -0.002422361   -0.000446786
      2        6           0.001669828    0.004066428   -0.003941480
      3        6           0.002654939    0.001292125    0.000435271
      4        6          -0.003750340   -0.000816786   -0.000025762
      5        6          -0.001791813    0.000388626   -0.000513257
      6        6          -0.000276550   -0.003971136    0.004620695
      7        6           0.002010813   -0.001389476   -0.000323558
      8        6          -0.002648380    0.001191915    0.000453358
      9        6           0.000471378    0.001258477   -0.001847671
     10        6           0.001158895    0.000073270   -0.000951701
     11        6           0.001838818   -0.003035411    0.003854225
     12        6           0.003355492    0.001635495    0.000202167
     13        6          -0.001266085    0.004114172   -0.004718925
     14        6          -0.000398822   -0.000224054    0.000545275
     15        7          -0.000987708    0.004843801   -0.001087927
     16        6          -0.000441952    0.003043436    0.000071053
     17        6           0.000809696   -0.002013902   -0.000725254
     18        7          -0.001691494   -0.003378594    0.000436356
     19        6           0.000815501    0.001515560    0.000076580
     20        6          -0.002472247    0.000790317    0.004508565
     21        6          -0.002801769   -0.001171045   -0.000687844
     22        6           0.001608676   -0.001735691   -0.004754650
     23        7          -0.002613949    0.001638365    0.000440896
     24        7          -0.002360496   -0.000973949   -0.000145371
     25        7           0.002077533    0.000763747    0.000362069
     26        6          -0.003012462    0.000960713    0.003424509
     27        6           0.001101835    0.001768773   -0.001900177
     28        6           0.001859798    0.000281252    0.001806154
     29        6           0.000046027   -0.003060309   -0.003175822
     30        6          -0.002630309   -0.001926249   -0.003798834
     31        6           0.000947480   -0.001694714    0.001826548
     32        6           0.002040657   -0.000105724   -0.001768169
     33        6          -0.000239243    0.003130762    0.003370501
     34        6           0.003106066   -0.001955190    0.003015766
     35        6          -0.001224133   -0.001232093   -0.002066843
     36        6          -0.001767961   -0.000601215    0.001749017
     37        6          -0.000554248    0.003963780   -0.002525043
     38        6           0.001361679    0.001536652   -0.000873252
     39        6           0.002754748   -0.000294295    0.000703360
     40        6           0.000862615   -0.001496103    0.001236121
     41        6          -0.001017813   -0.002760424    0.001388620
     42        6          -0.002794928   -0.000252617   -0.000454485
     43        6          -0.001027986    0.001114777   -0.000994692
     44        6           0.000765051    0.002699829   -0.000899937
     45        6           0.001967838    0.000412599    0.000935752
     46        6           0.001367414   -0.001492268    0.000940418
     47        6           0.002745026    0.000599076   -0.000618739
     48        6           0.000872245    0.001556364   -0.001184382
     49        6          -0.001157028    0.002674929   -0.001388754
     50        6          -0.003051068    0.000239219    0.000338384
     51        6          -0.000941069   -0.001243889    0.000924584
     52        6           0.000957454   -0.002620336    0.000828084
     53        6           0.002091096   -0.000298287   -0.000769487
     54        6          -0.001380338   -0.001308120   -0.001055093
     55        6          -0.002765213    0.000083142    0.000968315
     56        6          -0.000502863    0.001075454    0.001363115
     57        6           0.001310201    0.002291326    0.001464299
     58        6           0.003052749    0.000399096   -0.001065100
     59        6           0.000875522   -0.000885235   -0.001298488
     60        6          -0.000857101   -0.002406010   -0.001416986
     61        6          -0.001928670   -0.000654684    0.000870617
     62        1          -0.003045559   -0.000337097    0.001921324
     63        1           0.000770506    0.000200423    0.000033394
     64        1          -0.001080436    0.001696531   -0.000831426
     65        1          -0.003068794    0.000050638   -0.002072827
     66        1          -0.000891399   -0.001739530    0.001016572
     67        1           0.000181080   -0.000119577    0.001188211
     68        1           0.000253054   -0.001408816    0.007673910
     69        1          -0.000597568   -0.000723346    0.000576309
     70        1           0.002257701    0.000341765   -0.001162120
     71        1           0.000860971    0.001826321    0.001596545
     72        1          -0.000526748   -0.000343753    0.000025256
     73        1          -0.000622569    0.000130389   -0.000181983
     74        1          -0.000503186    0.000472223   -0.000560669
     75        1           0.002112797    0.001862915    0.001424694
     76        1           0.001544641    0.000556822   -0.000866394
     77        1           0.000221294   -0.000607523    0.000419838
     78        1          -0.000136322   -0.000647924    0.000192448
     79        1          -0.000528068   -0.000382160    0.000023394
     80        1          -0.000551129    0.000295126   -0.000050636
     81        1          -0.000609017   -0.000188366    0.000143970
     82        1          -0.000476658   -0.000508939    0.000519779
     83        1           0.002278604   -0.001675858   -0.001346085
     84        1           0.001504109   -0.000469445    0.001071841
     85        1           0.000166081    0.000694815   -0.000411607
     86        1          -0.000169579    0.000627005   -0.000194312
     87        1          -0.000540820    0.000348502   -0.000037880
     88        1           0.000550602    0.000311634    0.000046160
     89        1           0.000610537   -0.000072678   -0.000257650
     90        1           0.000462817   -0.000341680   -0.000545106
     91        1          -0.001474077   -0.001560368    0.000863016
     92        1          -0.001914595   -0.000424557   -0.001201698
     93        1          -0.000182602    0.000514890    0.000575837
     94        1           0.000138587    0.000553862    0.000332010
     95        1           0.000518136    0.000357009    0.000058239
     96       17           0.000924902   -0.003272562   -0.005718557
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007673910 RMS     0.001774194

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.006760387 RMS     0.001311920
 Search for a local minimum.
 Step number   5 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -1.13D-02 DEPred=-1.00D-02 R= 1.13D+00
 TightC=F SS=  1.41D+00  RLast= 5.83D-01 DXNew= 1.4270D+00 1.7477D+00
 Trust test= 1.13D+00 RLast= 5.83D-01 DXMaxT set to 1.43D+00
 ITU=  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.01149   0.02264   0.02702   0.02711   0.02725
     Eigenvalues ---    0.02731   0.02744   0.02746   0.02755   0.02763
     Eigenvalues ---    0.02765   0.02774   0.02776   0.02782   0.02783
     Eigenvalues ---    0.02789   0.02792   0.02794   0.02794   0.02795
     Eigenvalues ---    0.02805   0.02814   0.02821   0.02821   0.02822
     Eigenvalues ---    0.02823   0.02824   0.02824   0.02826   0.02828
     Eigenvalues ---    0.02835   0.02836   0.02840   0.02845   0.02846
     Eigenvalues ---    0.02846   0.02846   0.02848   0.02848   0.02853
     Eigenvalues ---    0.02859   0.02860   0.02868   0.02869   0.02870
     Eigenvalues ---    0.02871   0.02871   0.02873   0.02874   0.02874
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02878
     Eigenvalues ---    0.02879   0.02882   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02886   0.02897   0.02899   0.02899   0.02900
     Eigenvalues ---    0.02902   0.02907   0.02912   0.02913   0.02914
     Eigenvalues ---    0.02916   0.02918   0.02921   0.02939   0.02952
     Eigenvalues ---    0.02954   0.02985   0.02997   0.03021   0.03022
     Eigenvalues ---    0.03026   0.03127   0.03128   0.03135   0.03135
     Eigenvalues ---    0.03142   0.03256   0.03670   0.06031   0.15206
     Eigenvalues ---    0.15913   0.15944   0.15951   0.15967   0.15972
     Eigenvalues ---    0.15979   0.15984   0.15985   0.15986   0.15987
     Eigenvalues ---    0.15987   0.15988   0.15992   0.15995   0.15995
     Eigenvalues ---    0.15996   0.15996   0.15996   0.15996   0.15998
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16039   0.16124   0.17607   0.21992
     Eigenvalues ---    0.21996   0.21996   0.21997   0.21997   0.22017
     Eigenvalues ---    0.22259   0.22417   0.22434   0.22508   0.22586
     Eigenvalues ---    0.22586   0.22590   0.22590   0.22613   0.22782
     Eigenvalues ---    0.23490   0.23500   0.23552   0.23914   0.24393
     Eigenvalues ---    0.24396   0.24414   0.24434   0.24437   0.24588
     Eigenvalues ---    0.24608   0.24626   0.24885   0.24888   0.24926
     Eigenvalues ---    0.24926   0.24929   0.24935   0.24954   0.24990
     Eigenvalues ---    0.24990   0.24995   0.24998   0.24998   0.25000
     Eigenvalues ---    0.25000   0.25023   0.25200   0.28807   0.33224
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33283   0.33318   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33396   0.33399   0.33452   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33619   0.33680
     Eigenvalues ---    0.33843   0.33861   0.33875   0.33885   0.33897
     Eigenvalues ---    0.33903   0.33931   0.33945   0.33953   0.34259
     Eigenvalues ---    0.34780   0.35712   0.42982   0.44445   0.44458
     Eigenvalues ---    0.44655   0.45009   0.45830   0.48339   0.48936
     Eigenvalues ---    0.48943   0.49011   0.49582   0.49663   0.50094
     Eigenvalues ---    0.50378   0.50393   0.50410   0.50566   0.50580
     Eigenvalues ---    0.50590   0.50741   0.52444   0.52834   0.53713
     Eigenvalues ---    0.54095   0.54116   0.54189   0.54193   0.54208
     Eigenvalues ---    0.54574   0.54791   0.54893   0.55072   0.55424
     Eigenvalues ---    0.55502   0.55596   0.55713   0.55902   0.55932
     Eigenvalues ---    0.55976   0.56124   0.56129   0.56147   0.56235
     Eigenvalues ---    0.56422   0.56661   0.56662   0.56663   0.56664
     Eigenvalues ---    0.56676   0.56680   0.56711   0.56719   0.56819
     Eigenvalues ---    0.56907   0.56917   0.57116   0.57160   0.57161
     Eigenvalues ---    0.57165   0.57175   0.57178   0.58706   0.60000
     Eigenvalues ---    0.63818   0.65651   0.66013   0.66130   0.67576
     Eigenvalues ---    0.67708   0.67989   0.69780   0.69933   0.70217
     Eigenvalues ---    0.73946   0.76281
 RFO step:  Lambda=-1.43652816D-02 EMin= 1.14920338D-02
 Quartic linear search produced a step of  1.11967.
 Iteration  1 RMS(Cart)=  0.32682958 RMS(Int)=  0.01959404
 Iteration  2 RMS(Cart)=  0.05935447 RMS(Int)=  0.00428681
 Iteration  3 RMS(Cart)=  0.00413341 RMS(Int)=  0.00032169
 Iteration  4 RMS(Cart)=  0.00003665 RMS(Int)=  0.00031959
 Iteration  5 RMS(Cart)=  0.00000003 RMS(Int)=  0.00031959
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64664  -0.00431  -0.00210  -0.01126  -0.01322   2.63342
    R2        2.67106  -0.00326  -0.00278  -0.00676  -0.00948   2.66158
    R3        2.66504  -0.00193   0.01981  -0.00797   0.01184   2.67687
    R4        2.65676  -0.00093   0.00448  -0.00246   0.00210   2.65886
    R5        2.03693   0.00233  -0.00920   0.01394   0.00473   2.04166
    R6        2.68398  -0.00339  -0.00565  -0.00551  -0.01117   2.67281
    R7        2.78307  -0.00042   0.01986  -0.00349   0.01642   2.79948
    R8        2.65749  -0.00013   0.00174   0.00177   0.00337   2.66086
    R9        2.75351  -0.00047   0.01173  -0.00139   0.01033   2.76384
   R10        2.61363  -0.00203  -0.00243  -0.00352  -0.00602   2.60761
   R11        2.04534   0.00076   0.00118   0.00227   0.00345   2.04879
   R12        2.04190   0.00153  -0.00194   0.00741   0.00547   2.04737
   R13        2.69722  -0.00253  -0.00221  -0.00392  -0.00627   2.69095
   R14        2.65041  -0.00121   0.00352  -0.00316   0.00030   2.65071
   R15        2.71599  -0.00159   0.00448  -0.00345   0.00100   2.71699
   R16        2.66827  -0.00053   0.00041   0.00118   0.00152   2.66979
   R17        2.71171  -0.00207   0.00146  -0.00387  -0.00265   2.70906
   R18        2.54997  -0.00082  -0.00100  -0.00088  -0.00160   2.54838
   R19        2.51532  -0.00306  -0.00100  -0.00485  -0.00628   2.50904
   R20        2.64906  -0.00402  -0.00296  -0.00997  -0.01285   2.63621
   R21        2.03633   0.00236  -0.00863   0.01385   0.00522   2.04155
   R22        2.67145  -0.00365  -0.00231  -0.00814  -0.01031   2.66113
   R23        2.65673  -0.00227   0.01835  -0.00846   0.00988   2.66661
   R24        2.60777  -0.00158  -0.00219  -0.00241  -0.00454   2.60323
   R25        2.04060   0.00153  -0.00222   0.00745   0.00523   2.04583
   R26        2.04764   0.00015  -0.00068   0.00008  -0.00060   2.04704
   R27        2.58031  -0.00129   0.00380  -0.00291   0.00133   2.58164
   R28        1.91199   0.00109   0.00091   0.00230   0.00309   1.91508
   R29        5.44647   0.00225   0.04752   0.01683   0.06500   5.51147
   R30        2.69564  -0.00321  -0.00126  -0.00577  -0.00687   2.68877
   R31        2.65608  -0.00077   0.00005   0.00024   0.00029   2.65638
   R32        2.56293  -0.00108   0.01028  -0.00323   0.00678   2.56971
   R33        2.67277  -0.00091   0.00536  -0.00206   0.00331   2.67609
   R34        2.60339  -0.00170  -0.00171  -0.00316  -0.00486   2.59853
   R35        2.04878   0.00062  -0.00046   0.00225   0.00179   2.05057
   R36        2.70121  -0.00275   0.00350  -0.00690  -0.00341   2.69779
   R37        2.04132   0.00183  -0.00296   0.00924   0.00628   2.04760
   R38        2.62547  -0.00347  -0.00580  -0.00762  -0.01343   2.61204
   R39        2.66075  -0.00214   0.01819  -0.00799   0.01020   2.67095
   R40        2.04002   0.00185  -0.00331   0.00940   0.00609   2.04611
   R41        2.67314  -0.00353   0.01301  -0.00984   0.00320   2.67634
   R42        2.67577  -0.00600   0.01687  -0.01796  -0.00108   2.67468
   R43        2.67730  -0.00317   0.01412  -0.00920   0.00494   2.68224
   R44        2.67735  -0.00594   0.01742  -0.01792  -0.00050   2.67686
   R45        2.67503  -0.00392   0.01546  -0.01177   0.00369   2.67873
   R46        2.67375  -0.00468   0.01431  -0.01338   0.00095   2.67470
   R47        2.67994  -0.00260  -0.00194  -0.00372  -0.00564   2.67430
   R48        2.64786  -0.00254  -0.00278  -0.00499  -0.00776   2.64010
   R49        2.74142  -0.00180   0.00387  -0.00171   0.00213   2.74355
   R50        2.64413  -0.00112   0.00185  -0.00162   0.00022   2.64435
   R51        2.68237  -0.00358   0.00131  -0.00933  -0.00805   2.67433
   R52        2.64416  -0.00134   0.00198  -0.00243  -0.00046   2.64370
   R53        2.64904  -0.00387  -0.00062  -0.01028  -0.01091   2.63813
   R54        2.68150  -0.00246  -0.00138  -0.00339  -0.00476   2.67674
   R55        2.64853  -0.00257  -0.00277  -0.00509  -0.00785   2.64067
   R56        2.74028  -0.00192   0.00349  -0.00190   0.00156   2.74184
   R57        2.64453  -0.00117   0.00179  -0.00172   0.00005   2.64457
   R58        2.68289  -0.00366   0.00154  -0.00964  -0.00813   2.67476
   R59        2.64483  -0.00131   0.00208  -0.00235  -0.00027   2.64456
   R60        2.64973  -0.00387  -0.00049  -0.01032  -0.01081   2.63893
   R61        2.68120  -0.00307  -0.00011  -0.00644  -0.00658   2.67462
   R62        2.64791  -0.00314  -0.00191  -0.00734  -0.00924   2.63867
   R63        2.74136  -0.00198   0.00394  -0.00237   0.00155   2.74291
   R64        2.64443  -0.00117   0.00204  -0.00187   0.00016   2.64459
   R65        2.68193  -0.00301  -0.00003  -0.00647  -0.00649   2.67544
   R66        2.64420  -0.00129   0.00179  -0.00216  -0.00038   2.64382
   R67        2.64858  -0.00315  -0.00200  -0.00733  -0.00932   2.63927
   R68        2.63218  -0.00096  -0.00209   0.00024  -0.00185   2.63033
   R69        2.05049   0.00060   0.00091   0.00186   0.00277   2.05327
   R70        2.65401  -0.00122  -0.00239  -0.00012  -0.00250   2.65152
   R71        2.04911   0.00065  -0.00020   0.00242   0.00223   2.05134
   R72        2.63845  -0.00187   0.00198  -0.00445  -0.00246   2.63599
   R73        2.04949   0.00082   0.00141   0.00261   0.00402   2.05351
   R74        2.04143   0.00233  -0.00568   0.01274   0.00706   2.04849
   R75        2.63783  -0.00166   0.00180  -0.00385  -0.00205   2.63579
   R76        2.04276   0.00137  -0.00279   0.00697   0.00418   2.04695
   R77        2.65488  -0.00150  -0.00108  -0.00179  -0.00288   2.65200
   R78        2.04963   0.00070   0.00130   0.00209   0.00339   2.05302
   R79        2.63218  -0.00138  -0.00113  -0.00168  -0.00283   2.62936
   R80        2.04906   0.00068  -0.00017   0.00255   0.00237   2.05143
   R81        2.05053   0.00061   0.00091   0.00190   0.00281   2.05334
   R82        2.63157  -0.00103  -0.00225   0.00007  -0.00217   2.62939
   R83        2.05064   0.00060   0.00090   0.00186   0.00276   2.05340
   R84        2.65475  -0.00118  -0.00231  -0.00000  -0.00230   2.65245
   R85        2.04914   0.00064  -0.00024   0.00239   0.00215   2.05129
   R86        2.63794  -0.00193   0.00180  -0.00460  -0.00279   2.63515
   R87        2.04950   0.00080   0.00138   0.00253   0.00391   2.05341
   R88        2.04147   0.00233  -0.00572   0.01275   0.00702   2.04849
   R89        2.63771  -0.00166   0.00170  -0.00384  -0.00213   2.63557
   R90        2.04259   0.00131  -0.00299   0.00671   0.00372   2.04632
   R91        2.65510  -0.00159  -0.00107  -0.00207  -0.00313   2.65196
   R92        2.05002   0.00073   0.00131   0.00225   0.00356   2.05358
   R93        2.63199  -0.00138  -0.00115  -0.00166  -0.00282   2.62917
   R94        2.04912   0.00067  -0.00021   0.00252   0.00230   2.05142
   R95        2.05060   0.00060   0.00095   0.00183   0.00278   2.05338
   R96        2.63234  -0.00116  -0.00140  -0.00076  -0.00218   2.63016
   R97        2.05049   0.00060   0.00094   0.00182   0.00277   2.05326
   R98        2.65445  -0.00148  -0.00140  -0.00142  -0.00283   2.65162
   R99        2.04905   0.00066  -0.00019   0.00245   0.00226   2.05131
   R100       2.63808  -0.00168   0.00192  -0.00390  -0.00197   2.63611
   R101       2.04995   0.00072   0.00127   0.00219   0.00346   2.05340
   R102       2.04289   0.00166  -0.00394   0.00881   0.00487   2.04776
   R103       2.63768  -0.00173   0.00185  -0.00406  -0.00219   2.63549
   R104       2.04222   0.00164  -0.00429   0.00877   0.00448   2.04671
   R105       2.65510  -0.00149  -0.00151  -0.00144  -0.00294   2.65217
   R106       2.04974   0.00072   0.00135   0.00215   0.00350   2.05324
   R107       2.63191  -0.00130  -0.00167  -0.00110  -0.00277   2.62914
   R108       2.04912   0.00065  -0.00020   0.00242   0.00222   2.05133
   R109       2.05055   0.00060   0.00090   0.00184   0.00273   2.05328
   R110       5.31492  -0.00676  -0.20076  -0.26293  -0.46438   4.85054
    A1        2.07030   0.00230   0.01580   0.01227   0.02831   2.09861
    A2        2.10980  -0.00356   0.00794  -0.02738  -0.01969   2.09011
    A3        2.10300   0.00126  -0.02376   0.01541  -0.00859   2.09441
    A4        2.12830  -0.00065  -0.01359  -0.00398  -0.01787   2.11043
    A5        2.06661  -0.00104   0.00507  -0.00900  -0.00478   2.06183
    A6        2.08400   0.00179   0.01058   0.01664   0.02641   2.11042
    A7        2.07047  -0.00075   0.00222  -0.00447  -0.00226   2.06821
    A8        2.12392   0.00063  -0.00200   0.00337   0.00115   2.12507
    A9        2.08870   0.00013   0.00012   0.00127   0.00108   2.08979
   A10        2.07842   0.00099   0.00606   0.00684   0.01288   2.09130
   A11        2.10719  -0.00057   0.00109  -0.00492  -0.00392   2.10327
   A12        2.09750  -0.00042  -0.00721  -0.00190  -0.00900   2.08851
   A13        2.12200  -0.00087  -0.00304  -0.00422  -0.00735   2.11466
   A14        2.06341   0.00021  -0.01775   0.00369  -0.01401   2.04940
   A15        2.09768   0.00066   0.02085   0.00049   0.02138   2.11906
   A16        2.09601  -0.00101  -0.00685  -0.00654  -0.01339   2.08263
   A17        2.10135  -0.00061  -0.01671  -0.00272  -0.01961   2.08175
   A18        2.08399   0.00166   0.02386   0.01049   0.03421   2.11820
   A19        2.09341   0.00023  -0.00116   0.00188   0.00073   2.09415
   A20        2.11950   0.00028  -0.00061   0.00102   0.00060   2.12010
   A21        2.06970  -0.00051   0.00192  -0.00294  -0.00124   2.06847
   A22        2.08037  -0.00004  -0.00270  -0.00145  -0.00436   2.07601
   A23        2.07029   0.00082   0.00805   0.00612   0.01380   2.08409
   A24        2.13169  -0.00080  -0.00595  -0.00499  -0.01085   2.12083
   A25        2.12961  -0.00038   0.00661  -0.00262   0.00348   2.13309
   A26        2.11865   0.00020  -0.00326   0.00199  -0.00136   2.11729
   A27        2.03463   0.00018  -0.00331   0.00069  -0.00204   2.03259
   A28        2.06491   0.00060  -0.00490   0.00458  -0.00043   2.06448
   A29        2.07704  -0.00016   0.00209  -0.00042   0.00192   2.07896
   A30        2.14091  -0.00044   0.00286  -0.00413  -0.00142   2.13950
   A31        2.13369  -0.00084  -0.01448  -0.00499  -0.01979   2.11390
   A32        2.07852   0.00197   0.01043   0.01772   0.02790   2.10642
   A33        2.06517  -0.00105   0.00518  -0.00937  -0.00449   2.06068
   A34        2.06933   0.00227   0.01625   0.01203   0.02844   2.09777
   A35        2.11337  -0.00350   0.00785  -0.02684  -0.01910   2.09426
   A36        2.10040   0.00123  -0.02418   0.01503  -0.00926   2.09114
   A37        2.09494  -0.00066  -0.00472  -0.00501  -0.00982   2.08512
   A38        2.10378  -0.00067  -0.01570  -0.00272  -0.01877   2.08501
   A39        2.08309   0.00137   0.02111   0.00908   0.02986   2.11295
   A40        2.12815  -0.00107  -0.00622  -0.00500  -0.01144   2.11671
   A41        2.11055   0.00048  -0.00851   0.00430  -0.00434   2.10621
   A42        2.04447   0.00059   0.01473   0.00063   0.01523   2.05970
   A43        2.15235  -0.00055   0.00664   0.00000   0.00398   2.15633
   A44        2.07711   0.00088  -0.00737   0.00593  -0.00448   2.07263
   A45        1.64846   0.00312   0.03755   0.04952   0.08466   1.73312
   A46        2.05369  -0.00032   0.00287  -0.00547  -0.00572   2.04797
   A47        1.73255   0.00109   0.02811   0.03350   0.05901   1.79157
   A48        2.04263   0.00038  -0.00512   0.00113  -0.00318   2.03945
   A49        2.13933  -0.00103  -0.00442  -0.00521  -0.01017   2.12915
   A50        2.10118   0.00066   0.00956   0.00410   0.01338   2.11456
   A51        2.12210  -0.00049   0.00215  -0.00358  -0.00138   2.12073
   A52        2.07364  -0.00010  -0.00276  -0.00046  -0.00315   2.07049
   A53        2.08686   0.00058   0.00035   0.00393   0.00405   2.09091
   A54        2.07335   0.00092  -0.00281   0.00613   0.00271   2.07605
   A55        2.08681  -0.00063  -0.00448  -0.00328  -0.00766   2.07915
   A56        2.09770  -0.00034  -0.00658  -0.00244  -0.00915   2.08855
   A57        2.09747   0.00095   0.01056   0.00537   0.01573   2.11320
   A58        2.11903  -0.00082  -0.00727  -0.00452  -0.01184   2.10718
   A59        2.07391   0.00163   0.02503   0.01057   0.03537   2.10929
   A60        2.08717  -0.00077  -0.01703  -0.00414  -0.02147   2.06570
   A61        2.07529   0.00193   0.01467   0.01060   0.02537   2.10066
   A62        2.08998  -0.00123  -0.01310  -0.00554  -0.01873   2.07124
   A63        2.11782  -0.00070  -0.00166  -0.00511  -0.00688   2.11094
   A64        2.11030  -0.00104  -0.00981  -0.00652  -0.01645   2.09385
   A65        2.04036   0.00161   0.01232   0.01305   0.02502   2.06538
   A66        2.13039  -0.00053  -0.00164  -0.00474  -0.00676   2.12363
   A67        2.18961   0.00341  -0.01144   0.02736   0.01591   2.20552
   A68        2.20932  -0.00430   0.02061  -0.03462  -0.01402   2.19529
   A69        1.88426   0.00089  -0.00916   0.00724  -0.00192   1.88233
   A70        2.18859   0.00310  -0.01062   0.02516   0.01454   2.20314
   A71        2.21013  -0.00400   0.01984  -0.03255  -0.01271   2.19742
   A72        1.88445   0.00090  -0.00919   0.00735  -0.00185   1.88260
   A73        2.19686   0.00016   0.00571  -0.00014   0.00555   2.20241
   A74        2.20038  -0.00082   0.00291  -0.00582  -0.00292   2.19746
   A75        1.88594   0.00066  -0.00862   0.00596  -0.00263   1.88331
   A76        1.89928  -0.00067   0.00502  -0.00645  -0.00147   1.89781
   A77        2.27472  -0.00095  -0.02032  -0.00143  -0.02178   2.25294
   A78        2.10499   0.00165   0.01496   0.00927   0.02424   2.12923
   A79        1.87120  -0.00033   0.00037   0.00110   0.00142   1.87263
   A80        2.10010  -0.00099  -0.01062  -0.00657  -0.01718   2.08291
   A81        2.31175   0.00131   0.01022   0.00539   0.01563   2.32737
   A82        1.87238  -0.00058   0.00258  -0.00295  -0.00041   1.87197
   A83        2.30990   0.00207   0.00537   0.01391   0.01935   2.32925
   A84        2.10082  -0.00149  -0.00800  -0.01095  -0.01899   2.08182
   A85        1.89745   0.00068   0.00128   0.00097   0.00220   1.89965
   A86        2.28118  -0.00361  -0.01042  -0.01979  -0.03019   2.25099
   A87        2.10046   0.00297   0.00867   0.02031   0.02894   2.12940
   A88        1.90034  -0.00063   0.00525  -0.00633  -0.00112   1.89922
   A89        2.27600  -0.00079  -0.01978  -0.00031  -0.02014   2.25587
   A90        2.10285   0.00145   0.01431   0.00820   0.02249   2.12534
   A91        1.87037  -0.00037   0.00009   0.00104   0.00109   1.87146
   A92        2.10044  -0.00094  -0.01042  -0.00632  -0.01675   2.08369
   A93        2.31228   0.00131   0.01032   0.00523   0.01557   2.32785
   A94        1.87149  -0.00063   0.00241  -0.00310  -0.00074   1.87075
   A95        2.31031   0.00210   0.00551   0.01396   0.01955   2.32986
   A96        2.10127  -0.00147  -0.00799  -0.01084  -0.01888   2.08239
   A97        1.89829   0.00074   0.00143   0.00130   0.00269   1.90098
   A98        2.28098  -0.00369  -0.01041  -0.02026  -0.03066   2.25032
   A99        2.09994   0.00298   0.00862   0.02048   0.02904   2.12899
   A100       1.89802   0.00000   0.00282  -0.00230   0.00049   1.89851
   A101       2.27569  -0.00188  -0.01528  -0.00802  -0.02335   2.25234
   A102       2.10546   0.00191   0.01238   0.01188   0.02421   2.12967
   A103       1.87143  -0.00043   0.00138  -0.00087   0.00049   1.87192
   A104       2.09954  -0.00106  -0.00957  -0.00737  -0.01698   2.08256
   A105       2.31209   0.00149   0.00815   0.00822   0.01642   2.32851
   A106       1.87115  -0.00041   0.00127  -0.00100   0.00026   1.87140
   A107       2.31238   0.00155   0.00847   0.00882   0.01730   2.32969
   A108       2.09954  -0.00114  -0.00979  -0.00785  -0.01766   2.08188
   A109       1.89823   0.00017   0.00316  -0.00178   0.00136   1.89959
   A110       2.27815  -0.00221  -0.01566  -0.00967  -0.02540   2.25275
   A111       2.10286   0.00207   0.01236   0.01298   0.02533   2.12819
   A112       2.08010  -0.00047   0.00274  -0.00246   0.00021   2.08030
   A113       2.09620   0.00041  -0.00372   0.00289  -0.00079   2.09541
   A114       2.10682   0.00006   0.00095  -0.00038   0.00060   2.10741
   A115       2.09581   0.00069   0.00147   0.00757   0.00893   2.10474
   A116       2.09585  -0.00030   0.00079  -0.00369  -0.00294   2.09291
   A117       2.09128  -0.00038  -0.00210  -0.00361  -0.00575   2.08553
   A118       2.12416  -0.00078   0.00110  -0.00487  -0.00386   2.12030
   A119       2.08955   0.00004  -0.00165  -0.00000  -0.00167   2.08788
   A120       2.06945   0.00074   0.00068   0.00489   0.00554   2.07499
   A121       2.06217  -0.00087  -0.00572  -0.00758  -0.01342   2.04875
   A122       2.13413  -0.00096  -0.01018  -0.00775  -0.01798   2.11615
   A123       2.08621   0.00184   0.01606   0.01593   0.03195   2.11816
   A124       2.05809  -0.00043  -0.00901  -0.00227  -0.01133   2.04676
   A125       2.13575  -0.00049  -0.01111  -0.00248  -0.01367   2.12209
   A126       2.08850   0.00094   0.02038   0.00528   0.02560   2.11410
   A127       2.12554  -0.00058   0.00023  -0.00379  -0.00360   2.12194
   A128       2.06837   0.00061   0.00008   0.00433   0.00438   2.07274
   A129       2.08919  -0.00003  -0.00017  -0.00049  -0.00069   2.08850
   A130       2.09665   0.00062   0.00327   0.00502   0.00821   2.10485
   A131       2.09089  -0.00034  -0.00310  -0.00236  -0.00548   2.08540
   A132       2.09536  -0.00027   0.00005  -0.00250  -0.00248   2.09288
   A133       2.07829  -0.00025   0.00157  -0.00066   0.00088   2.07917
   A134       2.09704   0.00036  -0.00347   0.00267  -0.00078   2.09626
   A135       2.10775  -0.00011   0.00190  -0.00200  -0.00008   2.10767
   A136       2.07989  -0.00050   0.00268  -0.00264  -0.00002   2.07987
   A137       2.09627   0.00043  -0.00364   0.00299  -0.00062   2.09565
   A138       2.10693   0.00007   0.00092  -0.00029   0.00066   2.10759
   A139       2.09555   0.00069   0.00151   0.00763   0.00902   2.10457
   A140       2.09604  -0.00030   0.00087  -0.00366  -0.00282   2.09321
   A141       2.09130  -0.00039  -0.00223  -0.00366  -0.00592   2.08538
   A142       2.12484  -0.00077   0.00120  -0.00477  -0.00365   2.12118
   A143       2.08935   0.00004  -0.00165   0.00005  -0.00162   2.08774
   A144       2.06895   0.00073   0.00057   0.00475   0.00531   2.07426
   A145       2.06194  -0.00089  -0.00577  -0.00777  -0.01366   2.04828
   A146       2.13373  -0.00092  -0.01035  -0.00730  -0.01768   2.11605
   A147       2.08669   0.00183   0.01620   0.01575   0.03193   2.11861
   A148       2.06006  -0.00026  -0.00839  -0.00118  -0.00967   2.05039
   A149       2.13279  -0.00066  -0.01223  -0.00366  -0.01600   2.11679
   A150       2.08976   0.00093   0.02099   0.00531   0.02619   2.11595
   A151       2.12532  -0.00061   0.00013  -0.00413  -0.00404   2.12128
   A152       2.06932   0.00069   0.00047   0.00507   0.00548   2.07481
   A153       2.08849  -0.00008  -0.00045  -0.00091  -0.00141   2.08708
   A154       2.09586   0.00058   0.00314   0.00472   0.00778   2.10365
   A155       2.09133  -0.00033  -0.00303  -0.00229  -0.00537   2.08596
   A156       2.09578  -0.00025   0.00013  -0.00230  -0.00221   2.09357
   A157       2.07938  -0.00020   0.00176  -0.00025   0.00147   2.08085
   A158       2.09640   0.00034  -0.00355   0.00251  -0.00102   2.09539
   A159       2.10733  -0.00014   0.00180  -0.00226  -0.00044   2.10690
   A160       2.08002  -0.00032   0.00226  -0.00136   0.00086   2.08088
   A161       2.09624   0.00038  -0.00365   0.00279  -0.00083   2.09541
   A162       2.10684  -0.00006   0.00139  -0.00140   0.00001   2.10685
   A163       2.09617   0.00063   0.00258   0.00596   0.00845   2.10462
   A164       2.09567  -0.00028   0.00030  -0.00291  -0.00265   2.09301
   A165       2.09110  -0.00035  -0.00267  -0.00286  -0.00557   2.08553
   A166       2.12445  -0.00073   0.00034  -0.00468  -0.00438   2.12007
   A167       2.08859   0.00003  -0.00065  -0.00016  -0.00084   2.08775
   A168       2.07008   0.00070   0.00045   0.00487   0.00528   2.07536
   A169       2.06064  -0.00048  -0.00743  -0.00362  -0.01114   2.04950
   A170       2.13436  -0.00081  -0.01065  -0.00562  -0.01638   2.11798
   A171       2.08757   0.00130   0.01843   0.00973   0.02806   2.11563
   A172       2.05786  -0.00037  -0.00757  -0.00283  -0.01051   2.04735
   A173       2.13442  -0.00077  -0.01052  -0.00515  -0.01575   2.11866
   A174       2.09018   0.00116   0.01842   0.00854   0.02688   2.11706
   A175       2.12583  -0.00071   0.00064  -0.00468  -0.00410   2.12173
   A176       2.06878   0.00070   0.00034   0.00486   0.00517   2.07394
   A177       2.08853   0.00002  -0.00083  -0.00015  -0.00102   2.08751
   A178       2.09677   0.00058   0.00257   0.00554   0.00801   2.10478
   A179       2.09092  -0.00034  -0.00271  -0.00277  -0.00553   2.08539
   A180       2.09525  -0.00023   0.00037  -0.00257  -0.00225   2.09300
   A181       2.07852  -0.00030   0.00210  -0.00117   0.00088   2.07940
   A182       2.09715   0.00037  -0.00347   0.00262  -0.00082   2.09633
   A183       2.10742  -0.00006   0.00137  -0.00141  -0.00002   2.10740
    D1        0.01074  -0.00022  -0.00186  -0.00955  -0.01145  -0.00071
    D2       -3.03101  -0.00141  -0.02453  -0.05317  -0.07723  -3.10824
    D3        3.13907   0.00039  -0.00425   0.01685   0.01265  -3.13146
    D4        0.09733  -0.00080  -0.02692  -0.02677  -0.05314   0.04420
    D5        0.01511   0.00026  -0.00567   0.01336   0.00790   0.02301
    D6       -3.06110  -0.00034  -0.01186  -0.00913  -0.02039  -3.08149
    D7       -3.11328  -0.00031  -0.00350  -0.01260  -0.01617  -3.12945
    D8        0.09369  -0.00091  -0.00969  -0.03508  -0.04446   0.04923
    D9       -2.47533   0.00219   0.15926   0.04168   0.20112  -2.27420
   D10        0.66320   0.00189   0.16299   0.02997   0.19315   0.85635
   D11        0.65277   0.00282   0.15709   0.06854   0.22544   0.87821
   D12       -2.49189   0.00252   0.16081   0.05683   0.21747  -2.27442
   D13       -0.04011   0.00016   0.01171   0.00321   0.01472  -0.02539
   D14        3.11612  -0.00024  -0.00605  -0.01042  -0.01663   3.09949
   D15        3.00067   0.00121   0.03422   0.04581   0.08051   3.08118
   D16       -0.12629   0.00081   0.01646   0.03218   0.04917  -0.07713
   D17        0.04362  -0.00012  -0.01376  -0.00026  -0.01413   0.02949
   D18       -3.08554  -0.00011  -0.00770  -0.00290  -0.01057  -3.09611
   D19       -3.11230   0.00028   0.00359   0.01311   0.01657  -3.09573
   D20        0.04173   0.00028   0.00965   0.01047   0.02012   0.06185
   D21        3.06294   0.00014   0.00791   0.00435   0.01225   3.07519
   D22       -0.11544   0.00009   0.01233   0.00325   0.01561  -0.09983
   D23       -0.06388  -0.00025  -0.01007  -0.00937  -0.01945  -0.08332
   D24        3.04093  -0.00030  -0.00565  -0.01048  -0.01609   3.02485
   D25       -0.01908   0.00017   0.00702   0.00429   0.01141  -0.00768
   D26        3.10805   0.00011   0.01157   0.00135   0.01307   3.12111
   D27        3.11014   0.00016   0.00103   0.00689   0.00792   3.11806
   D28       -0.04591   0.00010   0.00558   0.00395   0.00958  -0.03633
   D29        0.01390   0.00015   0.00499   0.00604   0.01084   0.02475
   D30        3.12894   0.00009   0.00718   0.00754   0.01434  -3.13990
   D31       -3.11512   0.00015   0.01106   0.00331   0.01423  -3.10088
   D32       -0.00008   0.00008   0.01325   0.00481   0.01773   0.01765
   D33       -0.01075  -0.00025   0.00299  -0.01096  -0.00800  -0.01875
   D34        3.06610   0.00027   0.00751   0.01082   0.01885   3.08495
   D35       -3.13760  -0.00019  -0.00124  -0.00799  -0.00942   3.13616
   D36       -0.06074   0.00033   0.00327   0.01379   0.01742  -0.04332
   D37        0.02920  -0.00026  -0.00454  -0.00854  -0.01301   0.01619
   D38        3.12770  -0.00062  -0.02369  -0.01691  -0.04094   3.08676
   D39       -3.07665  -0.00023  -0.00878  -0.00754  -0.01631  -3.09295
   D40        0.02185  -0.00059  -0.02793  -0.01592  -0.04424  -0.02239
   D41       -3.12902   0.00048   0.01688   0.01394   0.03040  -3.09862
   D42       -0.10501   0.00123   0.02823   0.04727   0.07573  -0.02928
   D43       -0.02373   0.00045   0.02117   0.01294   0.03375   0.01002
   D44        3.00029   0.00120   0.03252   0.04627   0.07908   3.07937
   D45        0.02806   0.00070   0.02002   0.02580   0.04580   0.07386
   D46       -3.14047   0.00064   0.02151   0.02841   0.04977  -3.09070
   D47       -3.06885   0.00103   0.03965   0.03419   0.07371  -2.99515
   D48        0.04580   0.00098   0.04113   0.03680   0.07768   0.12348
   D49       -0.00538   0.00052   0.01785   0.01580   0.03376   0.02839
   D50       -3.13975   0.00093   0.03392   0.02924   0.06327  -3.07648
   D51        3.09178   0.00017  -0.00183   0.00727   0.00528   3.09706
   D52       -0.04259   0.00057   0.01424   0.02070   0.03478  -0.00781
   D53       -0.04986  -0.00067  -0.02032  -0.02457  -0.04491  -0.09477
   D54        3.11932  -0.00060  -0.02258  -0.02619  -0.04859   3.07073
   D55        3.11745  -0.00061  -0.02173  -0.02708  -0.04870   3.06875
   D56        0.00344  -0.00055  -0.02398  -0.02870  -0.05239  -0.04894
   D57       -3.12611   0.00017   0.02799   0.03437   0.06214  -3.06397
   D58        0.02409  -0.00020  -0.03904  -0.03120  -0.06967  -0.04558
   D59       -1.30833   0.00354   0.08911   0.10984   0.19939  -1.10895
   D60       -0.01006   0.00011   0.02954   0.03679   0.06597   0.05591
   D61        3.14014  -0.00026  -0.03748  -0.02878  -0.06584   3.07431
   D62        1.80772   0.00348   0.09066   0.11226   0.20322   2.01094
   D63       -3.12538   0.00059   0.00410   0.00712   0.01166  -3.11372
   D64       -0.01156   0.00054   0.00625   0.00883   0.01533   0.00377
   D65        0.00836  -0.00019  -0.00249  -0.00866  -0.01108  -0.00272
   D66        3.13592   0.00016  -0.01130   0.00853  -0.00266   3.13326
   D67       -3.01651  -0.00113  -0.01414  -0.04349  -0.05739  -3.07390
   D68        0.11105  -0.00078  -0.02295  -0.02630  -0.04897   0.06208
   D69        0.00887   0.00010  -0.00882   0.00778  -0.00090   0.00797
   D70       -3.07599  -0.00067  -0.02271  -0.02037  -0.04236  -3.11835
   D71       -3.11880  -0.00021  -0.00020  -0.00893  -0.00922  -3.12802
   D72        0.07953  -0.00098  -0.01409  -0.03709  -0.05067   0.02885
   D73       -2.47883   0.00211   0.15822   0.03947   0.19765  -2.28118
   D74        0.65681   0.00191   0.16411   0.03087   0.19498   0.85179
   D75        0.64848   0.00248   0.14940   0.05694   0.20634   0.85482
   D76       -2.49907   0.00228   0.15530   0.04834   0.20367  -2.29539
   D77       -0.01022  -0.00027   0.00090  -0.01170  -0.01075  -0.02097
   D78        3.12441  -0.00067  -0.01451  -0.02464  -0.03956   3.08485
   D79        3.07531   0.00043   0.01320   0.01574   0.02978   3.10509
   D80       -0.07324   0.00004  -0.00220   0.00280   0.00097  -0.07227
   D81        0.02340   0.00031  -0.01770  -0.02499  -0.04236  -0.01896
   D82       -3.12840   0.00031  -0.01641  -0.02206  -0.03826   3.11652
   D83       -3.12670   0.00068   0.04810   0.03981   0.08773  -3.03897
   D84        0.00469   0.00068   0.04939   0.04274   0.09182   0.09651
   D85       -1.75014  -0.00414  -0.08480  -0.10971  -0.19459  -1.94472
   D86        1.38125  -0.00414  -0.08352  -0.10678  -0.19049   1.19076
   D87       -0.03139  -0.00032  -0.00159   0.00317   0.00148  -0.02991
   D88       -3.13625   0.00002   0.00762   0.00672   0.01433  -3.12192
   D89        3.12017  -0.00031  -0.00275   0.00037  -0.00243   3.11774
   D90        0.01531   0.00003   0.00646   0.00392   0.01042   0.02573
   D91       -3.13897   0.00017  -0.00216   0.00086  -0.00106  -3.14003
   D92       -0.04995  -0.00016  -0.01412  -0.00670  -0.02031  -0.07026
   D93       -0.00791   0.00017  -0.00093   0.00387   0.00311  -0.00480
   D94        3.08111  -0.00016  -0.01289  -0.00369  -0.01615   3.06496
   D95        0.02578  -0.00009   0.00680   0.00415   0.01066   0.03645
   D96        3.13037  -0.00044  -0.00253   0.00048  -0.00248   3.12789
   D97       -0.00960  -0.00015  -0.00420  -0.00773  -0.01197  -0.02157
   D98        3.06323   0.00048   0.00864   0.02074   0.02981   3.09304
   D99       -3.11522   0.00020   0.00480  -0.00410   0.00077  -3.11445
   D100      -0.04239   0.00083   0.01764   0.02437   0.04255   0.00016
   D101      -0.00535  -0.00024  -0.00692  -0.00797  -0.01487  -0.02022
   D102       3.05164   0.00035   0.00175   0.01804   0.02043   3.07208
   D103      -3.09437   0.00013   0.00546  -0.00017   0.00544  -3.08894
   D104      -0.03738   0.00072   0.01413   0.02585   0.04075   0.00336
   D105       0.01098   0.00012   0.00907   0.00422   0.01336   0.02434
   D106       3.13759   0.00000   0.00015   0.00041   0.00054   3.13813
   D107      -3.04538  -0.00059  -0.00186  -0.02269  -0.02379  -3.06916
   D108       0.08123  -0.00071  -0.01077  -0.02650  -0.03661   0.04463
   D109      -0.00322   0.00008  -0.00331   0.00380   0.00052  -0.00270
   D110      -3.07245  -0.00067  -0.01743  -0.02686  -0.04394  -3.11639
   D111      -3.12958   0.00020   0.00580   0.00767   0.01373  -3.11585
   D112       0.08437  -0.00055  -0.00832  -0.02299  -0.03073   0.05365
   D113      -2.47033   0.00218   0.15267   0.04562   0.19817  -2.27216
   D114       0.67204   0.00223   0.15547   0.04696   0.20232   0.87437
   D115       0.65591   0.00209   0.14359   0.04185   0.18555   0.84146
   D116      -2.48490   0.00213   0.14640   0.04320   0.18971  -2.29520
   D117       3.13425   0.00002  -0.00520   0.00395  -0.00137   3.13288
   D118       0.09036  -0.00049  -0.00366  -0.01542  -0.01902   0.07133
   D119      -0.00476   0.00028  -0.00844   0.01391   0.00545   0.00069
   D120      -3.04865  -0.00023  -0.00690  -0.00546  -0.01220  -3.06085
   D121      -3.13136  -0.00017   0.00138  -0.00736  -0.00609  -3.13745
   D122       0.10798  -0.00079   0.00530  -0.02751  -0.02215   0.08582
   D123       0.00761  -0.00042   0.00455  -0.01735  -0.01280  -0.00519
   D124      -3.03624  -0.00104   0.00846  -0.03749  -0.02887  -3.06511
   D125       3.13863   0.00010  -0.00060   0.00587   0.00518  -3.13937
   D126       0.09696  -0.00036   0.00225  -0.01113  -0.00888   0.08808
   D127       0.00207   0.00029  -0.00574   0.01326   0.00750   0.00957
   D128      -3.03961  -0.00017  -0.00290  -0.00374  -0.00656  -3.04617
   D129      -3.13572  -0.00028  -0.00319  -0.00975  -0.01302   3.13445
   D130       0.10501  -0.00086   0.00203  -0.02914  -0.02707   0.07795
   D131       0.00077  -0.00044   0.00182  -0.01704  -0.01523  -0.01445
   D132      -3.04168  -0.00103   0.00704  -0.03643  -0.02927  -3.07096
   D133       3.13979  -0.00005  -0.00221  -0.00083  -0.00301   3.13678
   D134       0.09603  -0.00062  -0.00225  -0.02039  -0.02243   0.07360
   D135      -0.00247  -0.00009  -0.00460  -0.00198  -0.00654  -0.00901
   D136      -3.04623  -0.00066  -0.00464  -0.02154  -0.02597  -3.07219
   D137      -3.13792  -0.00006  -0.00123  -0.00164  -0.00284  -3.14076
   D138       0.10098  -0.00064  -0.00060  -0.02134  -0.02172   0.07926
   D139       0.00434  -0.00002   0.00117  -0.00049   0.00068   0.00502
   D140      -3.03994  -0.00060   0.00180  -0.02019  -0.01820  -3.05814
   D141      -0.00402  -0.00003   0.00733  -0.00448   0.00285  -0.00117
   D142      -3.12979   0.00006   0.00919  -0.00015   0.00891  -3.12087
   D143       3.04910   0.00022   0.00256   0.00997   0.01275   3.06185
   D144      -0.07666   0.00031   0.00443   0.01430   0.01881  -0.05785
   D145       3.10323   0.00009  -0.01069   0.00533  -0.00544   3.09780
   D146       0.00605  -0.00031  -0.01763  -0.00870  -0.02617  -0.02012
   D147       0.07156  -0.00028  -0.00681  -0.01254  -0.01946   0.05211
   D148      -3.02562  -0.00068  -0.01375  -0.02657  -0.04019  -3.06581
   D149       0.00444  -0.00024  -0.00615  -0.00594  -0.01208  -0.00764
   D150       3.13164  -0.00029  -0.01171  -0.00469  -0.01640   3.11524
   D151       3.12752  -0.00038  -0.00858  -0.01117  -0.01981   3.10771
   D152      -0.02847  -0.00043  -0.01415  -0.00992  -0.02413  -0.05260
   D153       0.02653  -0.00013  -0.00042  -0.00562  -0.00593   0.02060
   D154      -3.13037  -0.00011  -0.00006  -0.00464  -0.00462  -3.13500
   D155      -3.09457   0.00001   0.00216   0.00008   0.00233  -3.09224
   D156       0.03171   0.00003   0.00252   0.00106   0.00363   0.03534
   D157      -0.00323   0.00042   0.00271   0.01417   0.01686   0.01364
   D158       3.05131   0.00051  -0.00304   0.02866   0.02592   3.07723
   D159      -3.13248   0.00043   0.00740   0.01286   0.02010  -3.11238
   D160      -0.07795   0.00052   0.00165   0.02735   0.02916  -0.04879
   D161      -3.09958  -0.00015   0.00829  -0.01142  -0.00303  -3.10261
   D162       0.02887  -0.00011   0.00554  -0.00731  -0.00172   0.02715
   D163       0.02608  -0.00019   0.00218  -0.00994  -0.00759   0.01849
   D164      -3.12866  -0.00015  -0.00056  -0.00583  -0.00627  -3.13493
   D165       3.10672  -0.00003  -0.01241  -0.00488  -0.01745   3.08927
   D166       0.00487  -0.00056  -0.01736  -0.02309  -0.04031  -0.03544
   D167       0.07396  -0.00052  -0.00619  -0.02492  -0.03129   0.04267
   D168      -3.02788  -0.00104  -0.01114  -0.04313  -0.05416  -3.08203
   D169       0.00016  -0.00004   0.00897  -0.00520   0.00376   0.00392
   D170      -3.12823   0.00003   0.00983  -0.00135   0.00838  -3.11986
   D171       3.05545   0.00029   0.00547   0.01146   0.01716   3.07261
   D172      -0.07294   0.00036   0.00633   0.01530   0.02178  -0.05116
   D173       3.10263   0.00012  -0.01096   0.00680  -0.00431   3.09831
   D174      -0.00227  -0.00032  -0.02193  -0.00811  -0.02981  -0.03208
   D175       0.06834  -0.00033  -0.00858  -0.01373  -0.02247   0.04587
   D176      -3.03655  -0.00077  -0.01955  -0.02864  -0.04798  -3.08452
   D177       0.00447  -0.00023  -0.00608  -0.00546  -0.01149  -0.00702
   D178       3.12957  -0.00029  -0.01222  -0.00426  -0.01646   3.11310
   D179       3.13061  -0.00034  -0.00732  -0.01009  -0.01741   3.11321
   D180      -0.02748  -0.00040  -0.01346  -0.00889  -0.02238  -0.04985
   D181       0.02529  -0.00013  -0.00096  -0.00559  -0.00646   0.01884
   D182      -3.12913  -0.00011   0.00036  -0.00486  -0.00444  -3.13357
   D183      -3.09919  -0.00002   0.00032  -0.00053  -0.00014  -3.09933
   D184       0.02957  -0.00000   0.00163   0.00019   0.00187   0.03144
   D185      -0.00746   0.00040   0.00097   0.01408   0.01500   0.00754
   D186       3.04832   0.00052  -0.00362   0.02922   0.02593   3.07425
   D187      -3.13492   0.00042   0.00614   0.01279   0.01873  -3.11619
   D188      -0.07915   0.00054   0.00155   0.02793   0.02967  -0.04948
   D189      -3.09645  -0.00015   0.00911  -0.01174  -0.00253  -3.09899
   D190       0.03024  -0.00010   0.00591  -0.00698  -0.00101   0.02922
   D191       0.02687  -0.00020   0.00237  -0.01031  -0.00779   0.01908
   D192      -3.12962  -0.00015  -0.00083  -0.00556  -0.00627  -3.13589
   D193       3.10869  -0.00001  -0.01125  -0.00442  -0.01584   3.09285
   D194       0.01092  -0.00053  -0.01395  -0.02280  -0.03666  -0.02575
   D195       0.07434  -0.00053  -0.00648  -0.02529  -0.03197   0.04237
   D196      -3.02343  -0.00105  -0.00919  -0.04368  -0.05279  -3.07623
   D197      -0.00030   0.00017   0.00615   0.00360   0.00971   0.00941
   D198      -3.12731   0.00020   0.00884   0.00486   0.01352  -3.11379
   D199       3.05472   0.00043   0.00443   0.01969   0.02448   3.07920
   D200      -0.07229   0.00047   0.00712   0.02095   0.02829  -0.04401
   D201       3.09968   0.00008  -0.01067   0.00271  -0.00815   3.09154
   D202      -0.00068  -0.00040  -0.01970  -0.01342  -0.03294  -0.03363
   D203       0.06580  -0.00042  -0.01005  -0.01799  -0.02827   0.03753
   D204      -3.03457  -0.00090  -0.01907  -0.03412  -0.05307  -3.08763
   D205       0.00293  -0.00018  -0.00536  -0.00386  -0.00918  -0.00625
   D206       3.12779  -0.00028  -0.00967  -0.00596  -0.01564   3.11215
   D207       3.12745  -0.00026  -0.00869  -0.00554  -0.01419   3.11327
   D208      -0.03087  -0.00035  -0.01300  -0.00764  -0.02065  -0.05151
   D209       0.02591  -0.00019  -0.00110  -0.00843  -0.00942   0.01648
   D210      -3.13072  -0.00013  -0.00081  -0.00514  -0.00586  -3.13657
   D211      -3.09681  -0.00012   0.00249  -0.00666  -0.00412  -3.10093
   D212       0.02976  -0.00006   0.00278  -0.00336  -0.00056   0.02920
   D213      -0.00448   0.00013   0.00259   0.00270   0.00525   0.00077
   D214       3.05131   0.00037   0.00028   0.01869   0.01931   3.07062
   D215      -3.13179   0.00018   0.00613   0.00432   0.01026  -3.12154
   D216      -0.07600   0.00042   0.00382   0.02031   0.02432  -0.05168
   D217      -3.09717  -0.00008   0.00408  -0.00577  -0.00165  -3.09882
   D218       0.03076  -0.00004   0.00439  -0.00305   0.00137   0.03214
   D219       0.02592  -0.00017  -0.00060  -0.00801  -0.00854   0.01738
   D220      -3.12933  -0.00013  -0.00029  -0.00530  -0.00552  -3.13485
   D221       3.10681   0.00013  -0.00689   0.00318  -0.00389   3.10292
   D222       0.00314  -0.00034  -0.01716  -0.01208  -0.02903  -0.02589
   D223       0.07217  -0.00038  -0.00555  -0.01761  -0.02336   0.04882
   D224      -3.03150  -0.00085  -0.01582  -0.03286  -0.04850  -3.07999
   D225       0.02708  -0.00028  -0.00181  -0.00994  -0.01169   0.01540
   D226      -3.13833   0.00008   0.00535   0.00324   0.00859  -3.12974
   D227      -3.10128  -0.00032   0.00098  -0.01411  -0.01300  -3.11428
   D228       0.01649   0.00004   0.00815  -0.00092   0.00728   0.02377
   D229      -0.03017   0.00025  -0.00302   0.01197   0.00890  -0.02127
   D230       3.10356   0.00042   0.00825   0.01464   0.02277   3.12633
   D231       3.13518  -0.00010  -0.01021  -0.00118  -0.01133   3.12385
   D232      -0.01427   0.00006   0.00106   0.00149   0.00254  -0.01173
   D233      -0.02084   0.00024   0.00725   0.00621   0.01319  -0.00765
   D234       3.08213   0.00069   0.01140   0.02337   0.03490   3.11703
   D235       3.12853   0.00008  -0.00387   0.00359  -0.00055   3.12798
   D236      -0.05169   0.00053   0.00028   0.02075   0.02117  -0.03052
   D237      -0.01915   0.00012   0.00557   0.00283   0.00824  -0.01091
   D238       3.13677  -0.00002  -0.00330  -0.00070  -0.00417   3.13260
   D239       3.07927   0.00047   0.01142   0.01627   0.02784   3.10712
   D240      -0.04799   0.00033   0.00255   0.01274   0.01543  -0.03256
   D241      -0.02983   0.00014  -0.00081   0.00604   0.00520  -0.02463
   D242       3.13797  -0.00009  -0.00927  -0.00114  -0.01036   3.12761
   D243       3.09726   0.00029   0.00817   0.00965   0.01776   3.11502
   D244      -0.01811   0.00006  -0.00029   0.00247   0.00219  -0.01592
   D245       0.02567  -0.00014  -0.00184  -0.00457  -0.00638   0.01930
   D246      -3.10051  -0.00016  -0.00216  -0.00560  -0.00768  -3.10820
   D247       3.14098   0.00009   0.00658   0.00262   0.00921  -3.13299
   D248       0.01479   0.00007   0.00626   0.00160   0.00791   0.02270
   D249       0.02748  -0.00028  -0.00170  -0.00999  -0.01161   0.01587
   D250      -3.14026   0.00009   0.00454   0.00388   0.00842  -3.13184
   D251      -3.09912  -0.00033   0.00155  -0.01480  -0.01313  -3.11225
   D252       0.01632   0.00004   0.00779  -0.00094   0.00690   0.02323
   D253      -0.03139   0.00026  -0.00354   0.01222   0.00862  -0.02277
   D254       3.10012   0.00042   0.00671   0.01516   0.02173   3.12185
   D255       3.13628  -0.00011  -0.00982  -0.00161  -0.01137   3.12491
   D256      -0.01540   0.00005   0.00043   0.00133   0.00174  -0.01366
   D257      -0.02005   0.00024   0.00786   0.00619   0.01376  -0.00628
   D258       3.07894   0.00068   0.00979   0.02348   0.03334   3.11228
   D259       3.13151   0.00008  -0.00226   0.00331   0.00079   3.13231
   D260      -0.05268   0.00052  -0.00033   0.02060   0.02036  -0.03231
   D261      -0.01872   0.00013   0.00592   0.00324   0.00897  -0.00975
   D262       3.13335  -0.00003  -0.00494  -0.00033  -0.00549   3.12786
   D263       3.08711   0.00053   0.01573   0.01758   0.03354   3.12065
   D264      -0.04401   0.00037   0.00487   0.01400   0.01908  -0.02493
   D265      -0.02797   0.00016   0.00014   0.00659   0.00674  -0.02123
   D266       3.13583  -0.00008  -0.01030  -0.00074  -0.01098   3.12485
   D267       3.10303   0.00032   0.01113   0.01024   0.02134   3.12437
   D268      -0.01635   0.00008   0.00069   0.00290   0.00362  -0.01273
   D269       0.02424  -0.00016  -0.00268  -0.00534  -0.00798   0.01626
   D270      -3.10444  -0.00018  -0.00396  -0.00610  -0.01000  -3.11445
   D271      -3.13962   0.00008   0.00773   0.00202   0.00977  -3.12984
   D272       0.01489   0.00006   0.00645   0.00125   0.00775   0.02264
   D273       0.02520  -0.00019  -0.00139  -0.00676  -0.00810   0.01710
   D274      -3.14024   0.00009   0.00727   0.00279   0.01010  -3.13014
   D275      -3.10265  -0.00024  -0.00166  -0.00953  -0.01114  -3.11378
   D276       0.01510   0.00005   0.00700   0.00002   0.00706   0.02216
   D277      -0.02811   0.00021  -0.00058   0.00914   0.00858  -0.01953
   D278       3.10141   0.00036   0.00968   0.01204   0.02169   3.12309
   D279       3.13726  -0.00007  -0.00927  -0.00038  -0.00958   3.12769
   D280      -0.01640   0.00008   0.00099   0.00252   0.00353  -0.01287
   D281      -0.02096   0.00014   0.00441   0.00353   0.00774  -0.01322
   D282       3.08376   0.00055   0.01363   0.01802   0.03185   3.11561
   D283       3.13258  -0.00000  -0.00572   0.00069  -0.00523   3.12735
   D284      -0.04588   0.00041   0.00349   0.01519   0.01888  -0.02701
   D285      -0.01550   0.00015   0.00748   0.00346   0.01070  -0.00480
   D286       3.13718  -0.00000  -0.00336   0.00026  -0.00332   3.13386
   D287       3.08594   0.00057   0.01545   0.01884   0.03443   3.12038
   D288      -0.04456   0.00042   0.00461   0.01564   0.02041  -0.02415
   D289      -0.02984   0.00021  -0.00096   0.00927   0.00831  -0.02153
   D290       3.13561  -0.00008  -0.01043  -0.00060  -0.01096   3.12465
   D291       3.10054   0.00037   0.01001   0.01254   0.02248   3.12301
   D292      -0.01720   0.00008   0.00054   0.00266   0.00321  -0.01399
   D293       0.02413  -0.00019  -0.00234  -0.00665  -0.00892   0.01521
   D294      -3.10234  -0.00026  -0.00258  -0.01000  -0.01250  -3.11484
   D295      -3.14138   0.00010   0.00710   0.00325   0.01039  -3.13099
   D296       0.01533   0.00004   0.00686  -0.00010   0.00680   0.02214
         Item               Value     Threshold  Converged?
 Maximum Force            0.006760     0.000450     NO 
 RMS     Force            0.001312     0.000300     NO 
 Maximum Displacement     1.500417     0.001800     NO 
 RMS     Displacement     0.371328     0.001200     NO 
 Predicted change in Energy=-1.062855D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.021384    2.953628    0.139167
      2          6           0       -2.301541    1.604722   -0.070441
      3          6           0       -1.267404    0.652662   -0.132179
      4          6           0        0.068993    1.098823   -0.007762
      5          6           0        0.333957    2.464668    0.208832
      6          6           0       -0.689879    3.385850    0.294103
      7          6           0       -1.546917   -0.792254   -0.301592
      8          6           0       -0.470340   -1.713878   -0.440664
      9          6           0        0.879079   -1.219917   -0.393207
     10          6           0        1.180517    0.155159   -0.122210
     11          6           0       -2.857944   -1.290875   -0.289746
     12          6           0       -3.110119   -2.658557   -0.399012
     13          6           0       -2.042273   -3.567565   -0.527329
     14          6           0       -0.747971   -3.095942   -0.534477
     15          7           0        1.932841   -2.040989   -0.577579
     16          6           0        3.233028   -1.639712   -0.455746
     17          6           0        3.456077   -0.270740   -0.138531
     18          7           0        2.424087    0.603701    0.001085
     19          6           0        4.306590   -2.530973   -0.626317
     20          6           0        5.592567   -2.063991   -0.488341
     21          6           0        5.842174   -0.688194   -0.200332
     22          6           0        4.790046    0.191348   -0.027136
     23          7           0       -3.082522    3.889389    0.209329
     24          7           0       -4.438069   -3.135180   -0.374289
     25          7           0        7.180898   -0.256044   -0.063290
     26          6           0       -4.934097   -4.195205    0.428798
     27          6           0       -6.312649   -4.364466    0.157355
     28          6           0       -6.679907   -3.378086   -0.842633
     29          6           0       -5.516033   -2.630976   -1.142622
     30          6           0       -3.173394    5.110889   -0.501634
     31          6           0       -4.392050    5.747825   -0.161669
     32          6           0       -5.071602    4.893220    0.793854
     33          6           0       -4.250206    3.758824    0.998488
     34          6           0        7.706744    0.513814    1.004498
     35          6           0        9.086096    0.731042    0.773382
     36          6           0        9.418989    0.085278   -0.483195
     37          6           0        8.233306   -0.512535   -0.974323
     38          6           0       -7.873114   -3.083694   -1.511029
     39          6           0       -7.882313   -2.076941   -2.472162
     40          6           0       -6.707323   -1.376000   -2.783341
     41          6           0       -5.504741   -1.643061   -2.128939
     42          6           0       -4.279313   -4.929545    1.420686
     43          6           0       -5.025189   -5.892464    2.100333
     44          6           0       -6.381538   -6.109369    1.812685
     45          6           0       -7.033315   -5.342258    0.852108
     46          6           0       -6.276213    5.002787    1.497656
     47          6           0       -6.627536    4.003820    2.400248
     48          6           0       -5.778051    2.908088    2.619082
     49          6           0       -4.575548    2.767887    1.927087
     50          6           0       -2.312868    5.637177   -1.468691
     51          6           0       -2.669199    6.851528   -2.054802
     52          6           0       -3.851676    7.518867   -1.700096
     53          6           0       -4.720207    6.968107   -0.763067
     54          6           0       10.596572   -0.014524   -1.231976
     55          6           0       10.570827   -0.681604   -2.453250
     56          6           0        9.375667   -1.231225   -2.941534
     57          6           0        8.186820   -1.149616   -2.216325
     58          6           0        7.074959    0.944627    2.172815
     59          6           0        7.848736    1.645795    3.097289
     60          6           0        9.209144    1.905386    2.870092
     61          6           0        9.835105    1.443763    1.716514
     62          1           0       -3.332146    1.315113   -0.216205
     63          1           0        1.371162    2.760912    0.317825
     64          1           0       -0.493374    4.428740    0.512201
     65          1           0       -3.697616   -0.630421   -0.128842
     66          1           0       -2.252339   -4.624317   -0.633084
     67          1           0        0.056905   -3.819476   -0.580292
     68          1           0        1.761904   -3.030728   -0.712532
     69          1           0        4.108388   -3.584078   -0.797071
     70          1           0        6.438329   -2.738462   -0.550326
     71          1           0        4.954841    1.243335    0.169134
     72          1           0       -8.775723   -3.645188   -1.286100
     73          1           0       -8.804164   -1.831308   -2.990050
     74          1           0       -6.729251   -0.602703   -3.546483
     75          1           0       -4.593148   -1.116067   -2.386540
     76          1           0       -3.241311   -4.746297    1.670264
     77          1           0       -4.537762   -6.483442    2.870688
     78          1           0       -6.926349   -6.876878    2.353587
     79          1           0       -8.090912   -5.487002    0.649140
     80          1           0       -6.918814    5.865818    1.346099
     81          1           0       -7.563343    4.071704    2.946100
     82          1           0       -6.059300    2.146315    3.341120
     83          1           0       -3.908522    1.934823    2.117271
     84          1           0       -1.408920    5.116942   -1.759948
     85          1           0       -2.009859    7.287947   -2.800282
     86          1           0       -4.089199    8.470251   -2.165830
     87          1           0       -5.648749    7.469874   -0.504711
     88          1           0       11.515171    0.434150   -0.863967
     89          1           0       11.480284   -0.774992   -3.038477
     90          1           0        9.369847   -1.733709   -3.904968
     91          1           0        7.261121   -1.554526   -2.607968
     92          1           0        6.030276    0.729817    2.361326
     93          1           0        7.380317    1.998981    4.011830
     94          1           0        9.775751    2.468096    3.605393
     95          1           0       10.893893    1.621985    1.549800
     96         17           0        1.582891   -3.783521    1.734854
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0472867           0.0187966           0.0147521
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7871.4222973497 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.59D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999967   -0.007390   -0.001872   -0.002671 Ang=  -0.93 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.55562047     A.U. after   18 cycles
            NFock= 18  Conv=0.25D-08     -V/T= 2.0087
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.005210530    0.002556964    0.000039716
      2        6           0.004335107    0.001134804   -0.001009268
      3        6          -0.001284465   -0.006578445    0.000824271
      4        6           0.001743389    0.000831376   -0.000405178
      5        6           0.002779898   -0.000976204   -0.000346746
      6        6          -0.001840614   -0.001427117    0.000704265
      7        6          -0.001614073    0.005592245   -0.001070649
      8        6          -0.000328408    0.001361936    0.002319186
      9        6           0.001220758   -0.000267424   -0.003077854
     10        6          -0.002425010    0.001895621   -0.000861230
     11        6           0.004185051    0.001356768    0.001390036
     12        6          -0.003198719   -0.005205085   -0.000303305
     13        6          -0.004310494    0.001888938   -0.000180771
     14        6           0.003156359   -0.000762098   -0.001707633
     15        7          -0.001592901    0.004902229    0.002261196
     16        6          -0.003339539    0.001093562   -0.000867251
     17        6          -0.001180183    0.003043117   -0.001582525
     18        7           0.002006289   -0.003095220    0.000051425
     19        6           0.001396746   -0.002439743    0.000917799
     20        6          -0.001196645    0.003218346    0.001180140
     21        6           0.005961226    0.000563623    0.000806233
     22        6          -0.001811393   -0.001187846   -0.001031119
     23        7          -0.006361631    0.003595744   -0.000316658
     24        7          -0.007099704   -0.003223822    0.000414550
     25        7           0.005021257    0.003997935    0.000740150
     26        6           0.002038668    0.008714345   -0.002997373
     27        6           0.000296843    0.000403807   -0.000618809
     28        6           0.000163666    0.000003225    0.000590399
     29        6           0.009373604   -0.002556355    0.002855587
     30        6           0.002274815   -0.009075455    0.001953271
     31        6           0.000315905   -0.000408911    0.000453981
     32        6           0.000375740   -0.000075515   -0.000513000
     33        6           0.008803174    0.003345826   -0.001970735
     34        6          -0.001912686   -0.007654121   -0.004519144
     35        6          -0.000312761   -0.000376408   -0.000425424
     36        6          -0.000460266   -0.000176176    0.000254117
     37        6          -0.008517344    0.001610446    0.003261689
     38        6           0.000080575   -0.001228491    0.000783571
     39        6          -0.000574802    0.000074203    0.000072298
     40        6           0.001097035    0.002557560   -0.000139487
     41        6          -0.001926301   -0.001329615    0.000351834
     42        6          -0.002177121   -0.000756711   -0.001161382
     43        6           0.002542038    0.000297580    0.000249396
     44        6          -0.000217828   -0.000471094    0.000018690
     45        6          -0.001112733    0.000550194   -0.000812779
     46        6          -0.000039198    0.001275875   -0.000656071
     47        6          -0.000533489   -0.000057475   -0.000089667
     48        6           0.001331011   -0.002450112    0.000137066
     49        6          -0.001936222    0.001353085   -0.000326768
     50        6          -0.002279694    0.000661783    0.001500814
     51        6           0.002648187    0.000106498   -0.000054393
     52        6          -0.000139773    0.000480068    0.000041891
     53        6          -0.001070211   -0.000729363    0.000870751
     54        6           0.000050224    0.000966708    0.001215654
     55        6           0.000454288   -0.000180821   -0.000014782
     56        6          -0.001213369   -0.002045126   -0.000691666
     57        6           0.002026660    0.000904241    0.001257513
     58        6           0.002444299    0.001308180   -0.000691976
     59        6          -0.002626157   -0.000086555    0.000238628
     60        6           0.000132541    0.000493920    0.000106310
     61        6           0.001022286   -0.000303778   -0.001045089
     62        1          -0.000751901   -0.000391518   -0.000032513
     63        1          -0.001081215    0.000957412    0.000312391
     64        1           0.000906175    0.000639716   -0.000989477
     65        1          -0.000751875    0.000265218   -0.000355849
     66        1           0.001016584   -0.000463271    0.000944563
     67        1          -0.000615252   -0.000432035    0.001120853
     68        1           0.000954484   -0.004294346    0.008111348
     69        1          -0.000089200    0.000173893    0.000301411
     70        1          -0.000460939   -0.000932474   -0.000948903
     71        1           0.000005475    0.000022634    0.000437425
     72        1          -0.000171338    0.000479429   -0.000385467
     73        1           0.000156263   -0.000408683   -0.000191665
     74        1          -0.000156854   -0.000633441    0.000132064
     75        1          -0.000777850    0.000494393   -0.000406674
     76        1           0.001064452   -0.000636396    0.000035604
     77        1          -0.000507299    0.000068296   -0.000234262
     78        1          -0.000279944    0.000276474    0.000114550
     79        1           0.000347572   -0.000299524    0.000340564
     80        1          -0.000142748   -0.000543551    0.000323681
     81        1           0.000104154    0.000380095    0.000191692
     82        1          -0.000233567    0.000587657   -0.000145485
     83        1          -0.000828453   -0.000691918    0.000299099
     84        1           0.000978370    0.000444409   -0.000291574
     85        1          -0.000551207   -0.000217253    0.000120887
     86        1          -0.000274078   -0.000345402   -0.000204213
     87        1           0.000335097    0.000332445   -0.000318792
     88        1           0.000117872   -0.000346326   -0.000489233
     89        1          -0.000156434    0.000437114   -0.000050348
     90        1           0.000142181    0.000532298    0.000285686
     91        1           0.000317963   -0.000563057   -0.000595622
     92        1          -0.000570731    0.000414162    0.000633526
     93        1           0.000554966   -0.000055863   -0.000219324
     94        1           0.000298241   -0.000367275    0.000081267
     95        1          -0.000352571    0.000206799    0.000402098
     96       17           0.002020233   -0.002105781   -0.006702999
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009373604 RMS     0.002186360

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.008109400 RMS     0.001165731
 Search for a local minimum.
 Step number   6 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    5    6
 DE= -1.20D-02 DEPred=-1.06D-02 R= 1.13D+00
 TightC=F SS=  1.41D+00  RLast= 1.05D+00 DXNew= 2.4000D+00 3.1595D+00
 Trust test= 1.13D+00 RLast= 1.05D+00 DXMaxT set to 2.40D+00
 ITU=  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00697   0.02373   0.02703   0.02711   0.02725
     Eigenvalues ---    0.02731   0.02741   0.02745   0.02750   0.02753
     Eigenvalues ---    0.02770   0.02771   0.02777   0.02779   0.02783
     Eigenvalues ---    0.02789   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02800   0.02812   0.02817   0.02819   0.02820
     Eigenvalues ---    0.02820   0.02821   0.02825   0.02827   0.02831
     Eigenvalues ---    0.02834   0.02834   0.02839   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02850   0.02852
     Eigenvalues ---    0.02857   0.02861   0.02867   0.02868   0.02869
     Eigenvalues ---    0.02869   0.02870   0.02872   0.02872   0.02875
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02881   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02886   0.02896   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02902   0.02907   0.02909   0.02911   0.02912
     Eigenvalues ---    0.02912   0.02913   0.02930   0.02944   0.02947
     Eigenvalues ---    0.02949   0.02988   0.02998   0.03021   0.03026
     Eigenvalues ---    0.03120   0.03127   0.03130   0.03135   0.03141
     Eigenvalues ---    0.03166   0.03260   0.03744   0.05745   0.15693
     Eigenvalues ---    0.15896   0.15961   0.15971   0.15987   0.15990
     Eigenvalues ---    0.15993   0.15994   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16012   0.16065   0.16167   0.18208   0.21995
     Eigenvalues ---    0.21998   0.21998   0.21999   0.21999   0.22012
     Eigenvalues ---    0.22379   0.22421   0.22433   0.22587   0.22592
     Eigenvalues ---    0.22594   0.22595   0.22599   0.22673   0.23195
     Eigenvalues ---    0.23496   0.23509   0.23690   0.23947   0.24427
     Eigenvalues ---    0.24435   0.24458   0.24464   0.24468   0.24574
     Eigenvalues ---    0.24612   0.24629   0.24883   0.24916   0.24925
     Eigenvalues ---    0.24929   0.24934   0.24935   0.24979   0.24985
     Eigenvalues ---    0.24988   0.24996   0.24998   0.24999   0.24999
     Eigenvalues ---    0.25022   0.25134   0.25328   0.30297   0.33224
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33329   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33396   0.33399   0.33453   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33622   0.33704
     Eigenvalues ---    0.33843   0.33860   0.33876   0.33887   0.33896
     Eigenvalues ---    0.33904   0.33931   0.33950   0.33955   0.34365
     Eigenvalues ---    0.34780   0.36156   0.42797   0.44445   0.44464
     Eigenvalues ---    0.44826   0.45150   0.45797   0.48278   0.48928
     Eigenvalues ---    0.48938   0.49079   0.49640   0.49687   0.50137
     Eigenvalues ---    0.50366   0.50393   0.50495   0.50602   0.50622
     Eigenvalues ---    0.50662   0.50748   0.52415   0.52781   0.53631
     Eigenvalues ---    0.54087   0.54110   0.54184   0.54186   0.54202
     Eigenvalues ---    0.54571   0.54836   0.54901   0.55065   0.55447
     Eigenvalues ---    0.55499   0.55600   0.55710   0.55904   0.55929
     Eigenvalues ---    0.55959   0.56127   0.56144   0.56148   0.56233
     Eigenvalues ---    0.56439   0.56662   0.56663   0.56664   0.56669
     Eigenvalues ---    0.56678   0.56682   0.56710   0.56715   0.56818
     Eigenvalues ---    0.56909   0.56919   0.57117   0.57160   0.57162
     Eigenvalues ---    0.57165   0.57175   0.57178   0.58843   0.59991
     Eigenvalues ---    0.63846   0.65517   0.66008   0.66118   0.67576
     Eigenvalues ---    0.67704   0.67901   0.69781   0.69921   0.70018
     Eigenvalues ---    0.73890   0.76332
 RFO step:  Lambda=-7.64652241D-03 EMin= 6.97123194D-03
 Quartic linear search produced a step of  0.42779.
 Iteration  1 RMS(Cart)=  0.17097240 RMS(Int)=  0.01652255
 Iteration  2 RMS(Cart)=  0.01369909 RMS(Int)=  0.00488292
 Iteration  3 RMS(Cart)=  0.00438730 RMS(Int)=  0.00071499
 Iteration  4 RMS(Cart)=  0.00005296 RMS(Int)=  0.00071359
 Iteration  5 RMS(Cart)=  0.00000026 RMS(Int)=  0.00071359
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63342  -0.00003  -0.00565   0.00020  -0.00539   2.62803
    R2        2.66158  -0.00028  -0.00406  -0.00069  -0.00471   2.65687
    R3        2.67687  -0.00340   0.00506  -0.00348   0.00159   2.67846
    R4        2.65886  -0.00086   0.00090  -0.00140  -0.00047   2.65839
    R5        2.04166   0.00084   0.00202   0.00064   0.00266   2.04433
    R6        2.67281   0.00010  -0.00478  -0.00085  -0.00570   2.66711
    R7        2.79948  -0.00529   0.00702  -0.00993  -0.00294   2.79654
    R8        2.66086  -0.00012   0.00144  -0.00018   0.00119   2.66205
    R9        2.76384  -0.00230   0.00442  -0.00370   0.00073   2.76456
   R10        2.60761   0.00092  -0.00258   0.00191  -0.00070   2.60691
   R11        2.04879  -0.00044   0.00148  -0.00165  -0.00018   2.04862
   R12        2.04737   0.00041   0.00234   0.00065   0.00298   2.05035
   R13        2.69095   0.00056  -0.00268   0.00099  -0.00177   2.68918
   R14        2.65071  -0.00145   0.00013  -0.00292  -0.00284   2.64787
   R15        2.71699   0.00004   0.00043   0.00102   0.00148   2.71847
   R16        2.66979   0.00135   0.00065   0.00308   0.00371   2.67350
   R17        2.70906   0.00106  -0.00113   0.00338   0.00214   2.71121
   R18        2.54838   0.00061  -0.00068   0.00103   0.00083   2.54920
   R19        2.50904  -0.00129  -0.00269  -0.00205  -0.00532   2.50372
   R20        2.63621   0.00121  -0.00550   0.00256  -0.00291   2.63329
   R21        2.04155   0.00075   0.00223   0.00040   0.00263   2.04418
   R22        2.66113  -0.00154  -0.00441  -0.00343  -0.00777   2.65336
   R23        2.66661  -0.00310   0.00423  -0.00309   0.00114   2.66776
   R24        2.60323   0.00209  -0.00194   0.00449   0.00260   2.60583
   R25        2.04583   0.00042   0.00224   0.00066   0.00290   2.04873
   R26        2.04704  -0.00033  -0.00026  -0.00131  -0.00156   2.04548
   R27        2.58164  -0.00116   0.00057  -0.00211  -0.00096   2.58068
   R28        1.91508   0.00213   0.00132   0.00680   0.01202   1.92710
   R29        5.51147   0.00291   0.02781   0.03619   0.05631   5.56778
   R30        2.68877  -0.00059  -0.00294  -0.00198  -0.00477   2.68400
   R31        2.65638   0.00114   0.00013   0.00227   0.00245   2.65883
   R32        2.56971  -0.00381   0.00290  -0.00514  -0.00272   2.56700
   R33        2.67609  -0.00099   0.00142  -0.00161  -0.00018   2.67590
   R34        2.59853   0.00037  -0.00208   0.00086  -0.00123   2.59730
   R35        2.05057  -0.00022   0.00077  -0.00103  -0.00026   2.05031
   R36        2.69779  -0.00109  -0.00146  -0.00160  -0.00313   2.69466
   R37        2.04760   0.00000   0.00269  -0.00111   0.00158   2.04918
   R38        2.61204   0.00085  -0.00574   0.00159  -0.00421   2.60783
   R39        2.67095  -0.00370   0.00436  -0.00421   0.00015   2.67110
   R40        2.04611   0.00009   0.00261  -0.00086   0.00175   2.04785
   R41        2.67634  -0.00811   0.00137  -0.01384  -0.01245   2.66389
   R42        2.67468  -0.00595  -0.00046  -0.00863  -0.00908   2.66560
   R43        2.68224  -0.00796   0.00211  -0.01346  -0.01133   2.67091
   R44        2.67686  -0.00638  -0.00021  -0.00937  -0.00957   2.66729
   R45        2.67873  -0.00651   0.00158  -0.01028  -0.00868   2.67004
   R46        2.67470  -0.00665   0.00041  -0.01059  -0.01017   2.66453
   R47        2.67430  -0.00063  -0.00241  -0.00159  -0.00402   2.67029
   R48        2.64010  -0.00033  -0.00332  -0.00111  -0.00442   2.63569
   R49        2.74355  -0.00234   0.00091  -0.00356  -0.00267   2.74089
   R50        2.64435  -0.00011   0.00009   0.00011   0.00019   2.64453
   R51        2.67433   0.00007  -0.00344   0.00151  -0.00194   2.67239
   R52        2.64370  -0.00001  -0.00019   0.00043   0.00022   2.64392
   R53        2.63813   0.00080  -0.00467   0.00225  -0.00241   2.63572
   R54        2.67674  -0.00073  -0.00204  -0.00185  -0.00390   2.67284
   R55        2.64067  -0.00040  -0.00336  -0.00127  -0.00462   2.63606
   R56        2.74184  -0.00222   0.00067  -0.00338  -0.00274   2.73910
   R57        2.64457  -0.00020   0.00002  -0.00010  -0.00009   2.64448
   R58        2.67476  -0.00007  -0.00348   0.00130  -0.00220   2.67257
   R59        2.64456   0.00003  -0.00012   0.00051   0.00039   2.64494
   R60        2.63893   0.00079  -0.00462   0.00225  -0.00236   2.63656
   R61        2.67462  -0.00042  -0.00282  -0.00038  -0.00321   2.67141
   R62        2.63867   0.00017  -0.00395   0.00036  -0.00358   2.63508
   R63        2.74291  -0.00228   0.00066  -0.00352  -0.00288   2.74004
   R64        2.64459  -0.00013   0.00007   0.00009   0.00015   2.64474
   R65        2.67544  -0.00044  -0.00278  -0.00042  -0.00320   2.67224
   R66        2.64382  -0.00010  -0.00016   0.00014  -0.00004   2.64378
   R67        2.63927   0.00025  -0.00399   0.00054  -0.00344   2.63583
   R68        2.63033   0.00012  -0.00079  -0.00016  -0.00096   2.62937
   R69        2.05327  -0.00028   0.00119  -0.00106   0.00013   2.05340
   R70        2.65152   0.00050  -0.00107   0.00039  -0.00067   2.65084
   R71        2.05134  -0.00004   0.00095  -0.00036   0.00059   2.05193
   R72        2.63599  -0.00053  -0.00105  -0.00094  -0.00198   2.63402
   R73        2.05351  -0.00050   0.00172  -0.00183  -0.00011   2.05340
   R74        2.04849  -0.00014   0.00302  -0.00223   0.00079   2.04928
   R75        2.63579  -0.00069  -0.00088  -0.00131  -0.00218   2.63361
   R76        2.04695   0.00071   0.00179   0.00165   0.00344   2.05039
   R77        2.65200   0.00075  -0.00123   0.00143   0.00020   2.65221
   R78        2.05302  -0.00047   0.00145  -0.00171  -0.00026   2.05275
   R79        2.62936   0.00032  -0.00121   0.00068  -0.00053   2.62882
   R80        2.05143  -0.00006   0.00102  -0.00044   0.00058   2.05201
   R81        2.05334  -0.00028   0.00120  -0.00105   0.00015   2.05349
   R82        2.62939   0.00009  -0.00093  -0.00024  -0.00118   2.62822
   R83        2.05340  -0.00030   0.00118  -0.00110   0.00008   2.05348
   R84        2.65245   0.00049  -0.00098   0.00038  -0.00060   2.65185
   R85        2.05129  -0.00005   0.00092  -0.00037   0.00055   2.05183
   R86        2.63515  -0.00052  -0.00119  -0.00091  -0.00210   2.63306
   R87        2.05341  -0.00050   0.00167  -0.00183  -0.00016   2.05325
   R88        2.04849  -0.00015   0.00300  -0.00227   0.00074   2.04923
   R89        2.63557  -0.00072  -0.00091  -0.00138  -0.00228   2.63330
   R90        2.04632   0.00085   0.00159   0.00216   0.00375   2.05007
   R91        2.65196   0.00071  -0.00134   0.00139   0.00005   2.65201
   R92        2.05358  -0.00048   0.00152  -0.00176  -0.00024   2.05334
   R93        2.62917   0.00040  -0.00121   0.00087  -0.00035   2.62882
   R94        2.05142  -0.00007   0.00099  -0.00047   0.00052   2.05194
   R95        2.05338  -0.00029   0.00119  -0.00108   0.00011   2.05350
   R96        2.63016   0.00018  -0.00093   0.00019  -0.00075   2.62941
   R97        2.05326  -0.00030   0.00118  -0.00109   0.00010   2.05335
   R98        2.65162   0.00047  -0.00121   0.00065  -0.00056   2.65107
   R99        2.05131  -0.00007   0.00097  -0.00044   0.00052   2.05183
   R100       2.63611  -0.00064  -0.00084  -0.00118  -0.00201   2.63410
   R101       2.05340  -0.00048   0.00148  -0.00176  -0.00028   2.05313
   R102       2.04776   0.00031   0.00209  -0.00008   0.00201   2.04977
   R103       2.63549  -0.00063  -0.00094  -0.00116  -0.00209   2.63340
   R104       2.04671   0.00044   0.00192   0.00035   0.00227   2.04898
   R105       2.65217   0.00051  -0.00126   0.00074  -0.00051   2.65165
   R106       2.05324  -0.00048   0.00150  -0.00175  -0.00025   2.05299
   R107       2.62914   0.00020  -0.00118   0.00024  -0.00095   2.62819
   R108       2.05133  -0.00007   0.00095  -0.00045   0.00050   2.05183
   R109       2.05328  -0.00030   0.00117  -0.00110   0.00007   2.05335
   R110       4.85054  -0.00754  -0.19865  -0.28433  -0.47492   4.37562
    A1        2.09861  -0.00159   0.01211  -0.00684   0.00543   2.10405
    A2        2.09011   0.00178  -0.00842   0.01211   0.00354   2.09365
    A3        2.09441  -0.00018  -0.00368  -0.00512  -0.00894   2.08547
    A4        2.11043   0.00164  -0.00765   0.00582  -0.00205   2.10838
    A5        2.06183  -0.00085  -0.00204  -0.00227  -0.00483   2.05700
    A6        2.11042  -0.00078   0.01130  -0.00339   0.00739   2.11781
    A7        2.06821  -0.00053  -0.00097  -0.00204  -0.00295   2.06526
    A8        2.12507  -0.00008   0.00049   0.00046   0.00088   2.12595
    A9        2.08979   0.00061   0.00046   0.00170   0.00198   2.09176
   A10        2.09130   0.00006   0.00551   0.00071   0.00620   2.09750
   A11        2.10327  -0.00066  -0.00168  -0.00333  -0.00504   2.09823
   A12        2.08851   0.00059  -0.00385   0.00255  -0.00127   2.08724
   A13        2.11466  -0.00047  -0.00314  -0.00233  -0.00548   2.10918
   A14        2.04940   0.00166  -0.00599   0.00852   0.00253   2.05193
   A15        2.11906  -0.00119   0.00914  -0.00617   0.00298   2.12203
   A16        2.08263   0.00089  -0.00573   0.00471  -0.00108   2.08155
   A17        2.08175   0.00044  -0.00839   0.00187  -0.00672   2.07503
   A18        2.11820  -0.00132   0.01464  -0.00607   0.00836   2.12656
   A19        2.09415   0.00098   0.00031   0.00372   0.00401   2.09816
   A20        2.12010  -0.00098   0.00026  -0.00399  -0.00367   2.11643
   A21        2.06847  -0.00001  -0.00053   0.00008  -0.00050   2.06796
   A22        2.07601  -0.00037  -0.00187  -0.00172  -0.00360   2.07240
   A23        2.08409  -0.00054   0.00590  -0.00133   0.00445   2.08854
   A24        2.12083   0.00093  -0.00464   0.00340  -0.00127   2.11956
   A25        2.13309  -0.00167   0.00149  -0.00502  -0.00405   2.12904
   A26        2.11729   0.00221  -0.00058   0.00952   0.00837   2.12566
   A27        2.03259  -0.00053  -0.00087  -0.00423  -0.00412   2.02846
   A28        2.06448   0.00111  -0.00018   0.00479   0.00465   2.06913
   A29        2.07896  -0.00104   0.00082  -0.00511  -0.00428   2.07468
   A30        2.13950  -0.00008  -0.00061   0.00028  -0.00038   2.13912
   A31        2.11390   0.00162  -0.00846   0.00533  -0.00335   2.11055
   A32        2.10642  -0.00070   0.01194  -0.00256   0.00913   2.11555
   A33        2.06068  -0.00090  -0.00192  -0.00215  -0.00434   2.05634
   A34        2.09777  -0.00152   0.01216  -0.00699   0.00530   2.10307
   A35        2.09426   0.00114  -0.00817   0.00919   0.00091   2.09517
   A36        2.09114   0.00038  -0.00396  -0.00228  -0.00636   2.08478
   A37        2.08512   0.00115  -0.00420   0.00622   0.00194   2.08706
   A38        2.08501   0.00043  -0.00803   0.00215  -0.00624   2.07877
   A39        2.11295  -0.00158   0.01278  -0.00815   0.00425   2.11720
   A40        2.11671  -0.00069  -0.00489  -0.00326  -0.00829   2.10842
   A41        2.10621   0.00098  -0.00186   0.00404   0.00190   2.10811
   A42        2.05970  -0.00031   0.00652  -0.00149   0.00474   2.06444
   A43        2.15633  -0.00139   0.00170  -0.00039  -0.00181   2.15453
   A44        2.07263   0.00176  -0.00191   0.00269  -0.00272   2.06992
   A45        1.73312   0.00600   0.03622   0.07152   0.10613   1.83925
   A46        2.04797  -0.00036  -0.00245  -0.00888  -0.01427   2.03370
   A47        1.79157  -0.00075   0.02524   0.02639   0.04858   1.84014
   A48        2.03945   0.00159  -0.00136   0.00384   0.00364   2.04309
   A49        2.12915  -0.00088  -0.00435  -0.00243  -0.00759   2.12156
   A50        2.11456  -0.00070   0.00572  -0.00141   0.00396   2.11852
   A51        2.12073  -0.00056  -0.00059  -0.00379  -0.00428   2.11644
   A52        2.07049   0.00044  -0.00135   0.00156   0.00036   2.07085
   A53        2.09091   0.00011   0.00173   0.00250   0.00395   2.09486
   A54        2.07605   0.00098   0.00116   0.00348   0.00400   2.08006
   A55        2.07915  -0.00030  -0.00328  -0.00227  -0.00536   2.07379
   A56        2.08855   0.00009  -0.00391  -0.00029  -0.00434   2.08421
   A57        2.11320   0.00021   0.00673   0.00248   0.00903   2.12223
   A58        2.10718   0.00104  -0.00507   0.00509  -0.00002   2.10717
   A59        2.10929  -0.00173   0.01513  -0.00878   0.00616   2.11545
   A60        2.06570   0.00070  -0.00919   0.00397  -0.00543   2.06027
   A61        2.10066  -0.00131   0.01085  -0.00543   0.00547   2.10614
   A62        2.07124   0.00156  -0.00801   0.00634  -0.00171   2.06954
   A63        2.11094  -0.00025  -0.00295  -0.00083  -0.00382   2.10712
   A64        2.09385   0.00085  -0.00704   0.00255  -0.00456   2.08930
   A65        2.06538  -0.00041   0.01070  -0.00083   0.00960   2.07497
   A66        2.12363  -0.00044  -0.00289  -0.00154  -0.00471   2.11892
   A67        2.20552  -0.00321   0.00681  -0.01708  -0.01030   2.19522
   A68        2.19529   0.00111  -0.00600   0.01317   0.00715   2.20244
   A69        1.88233   0.00210  -0.00082   0.00396   0.00317   1.88551
   A70        2.20314  -0.00332   0.00622  -0.01725  -0.01105   2.19209
   A71        2.19742   0.00123  -0.00544   0.01352   0.00806   2.20548
   A72        1.88260   0.00208  -0.00079   0.00378   0.00301   1.88561
   A73        2.20241  -0.00075   0.00237  -0.00079   0.00155   2.20397
   A74        2.19746  -0.00117  -0.00125  -0.00287  -0.00415   2.19331
   A75        1.88331   0.00192  -0.00113   0.00367   0.00259   1.88589
   A76        1.89781   0.00046  -0.00063   0.00158   0.00090   1.89871
   A77        2.25294   0.00013  -0.00932  -0.00022  -0.00962   2.24332
   A78        2.12923  -0.00054   0.01037  -0.00007   0.01020   2.13943
   A79        1.87263  -0.00112   0.00061  -0.00239  -0.00178   1.87085
   A80        2.08291   0.00072  -0.00735   0.00091  -0.00650   2.07642
   A81        2.32737   0.00041   0.00668   0.00150   0.00823   2.33560
   A82        1.87197  -0.00115  -0.00018  -0.00109  -0.00126   1.87070
   A83        2.32925   0.00004   0.00828  -0.00249   0.00582   2.33508
   A84        2.08182   0.00110  -0.00812   0.00351  -0.00466   2.07716
   A85        1.89965  -0.00026   0.00094  -0.00168  -0.00081   1.89884
   A86        2.25099   0.00194  -0.01291   0.01014  -0.00287   2.24812
   A87        2.12940  -0.00163   0.01238  -0.00701   0.00524   2.13464
   A88        1.89922   0.00048  -0.00048   0.00157   0.00104   1.90025
   A89        2.25587   0.00002  -0.00861  -0.00061  -0.00935   2.24652
   A90        2.12534  -0.00045   0.00962   0.00025   0.00974   2.13508
   A91        1.87146  -0.00109   0.00047  -0.00242  -0.00194   1.86952
   A92        2.08369   0.00067  -0.00717   0.00062  -0.00659   2.07709
   A93        2.32785   0.00042   0.00666   0.00180   0.00849   2.33635
   A94        1.87075  -0.00110  -0.00032  -0.00084  -0.00116   1.86959
   A95        2.32986   0.00001   0.00836  -0.00267   0.00573   2.33559
   A96        2.08239   0.00109  -0.00808   0.00346  -0.00467   2.07772
   A97        1.90098  -0.00039   0.00115  -0.00221  -0.00112   1.89987
   A98        2.25032   0.00203  -0.01311   0.01047  -0.00274   2.24758
   A99        2.12899  -0.00159   0.01242  -0.00699   0.00530   2.13429
   A100       1.89851  -0.00002   0.00021  -0.00059  -0.00043   1.89807
   A101       2.25234   0.00125  -0.00999   0.00567  -0.00443   2.24792
   A102       2.12967  -0.00119   0.01036  -0.00405   0.00618   2.13585
   A103       1.87192  -0.00095   0.00021  -0.00118  -0.00095   1.87097
   A104       2.08256   0.00096  -0.00726   0.00237  -0.00495   2.07762
   A105       2.32851  -0.00001   0.00702  -0.00121   0.00584   2.33435
   A106       1.87140  -0.00104   0.00011  -0.00168  -0.00156   1.86984
   A107       2.32969   0.00005   0.00740  -0.00091   0.00651   2.33620
   A108       2.08188   0.00098  -0.00756   0.00258  -0.00502   2.07686
   A109       1.89959   0.00008   0.00058  -0.00018   0.00035   1.89994
   A110       2.25275   0.00110  -0.01087   0.00502  -0.00597   2.24678
   A111       2.12819  -0.00114   0.01084  -0.00377   0.00695   2.13514
   A112       2.08030  -0.00023   0.00009   0.00036   0.00039   2.08069
   A113       2.09541   0.00069  -0.00034   0.00347   0.00316   2.09857
   A114       2.10741  -0.00046   0.00026  -0.00381  -0.00352   2.10389
   A115       2.10474  -0.00008   0.00382  -0.00051   0.00323   2.10797
   A116       2.09291  -0.00013  -0.00126  -0.00081  -0.00207   2.09084
   A117       2.08553   0.00021  -0.00246   0.00131  -0.00115   2.08438
   A118       2.12030  -0.00035  -0.00165  -0.00175  -0.00344   2.11687
   A119       2.08788  -0.00020  -0.00072  -0.00172  -0.00243   2.08545
   A120       2.07499   0.00055   0.00237   0.00350   0.00587   2.08086
   A121       2.04875   0.00120  -0.00574   0.00585   0.00001   2.04876
   A122       2.11615   0.00036  -0.00769   0.00304  -0.00470   2.11145
   A123       2.11816  -0.00155   0.01367  -0.00880   0.00481   2.12297
   A124       2.04676   0.00076  -0.00485   0.00207  -0.00287   2.04388
   A125       2.12209   0.00020  -0.00585   0.00119  -0.00473   2.11736
   A126       2.11410  -0.00095   0.01095  -0.00304   0.00784   2.12193
   A127       2.12194  -0.00042  -0.00154  -0.00193  -0.00350   2.11844
   A128       2.07274   0.00050   0.00187   0.00282   0.00469   2.07744
   A129       2.08850  -0.00009  -0.00030  -0.00089  -0.00119   2.08731
   A130       2.10485  -0.00003   0.00351   0.00098   0.00442   2.10927
   A131       2.08540   0.00020  -0.00234   0.00065  -0.00170   2.08370
   A132       2.09288  -0.00017  -0.00106  -0.00160  -0.00267   2.09021
   A133       2.07917  -0.00046   0.00038  -0.00097  -0.00066   2.07851
   A134       2.09626   0.00073  -0.00033   0.00346   0.00315   2.09941
   A135       2.10767  -0.00027  -0.00003  -0.00243  -0.00244   2.10524
   A136       2.07987  -0.00023  -0.00001   0.00041   0.00034   2.08021
   A137       2.09565   0.00069  -0.00027   0.00344   0.00320   2.09885
   A138       2.10759  -0.00046   0.00028  -0.00381  -0.00350   2.10408
   A139       2.10457  -0.00008   0.00386  -0.00047   0.00330   2.10788
   A140       2.09321  -0.00013  -0.00121  -0.00080  -0.00201   2.09120
   A141       2.08538   0.00021  -0.00253   0.00126  -0.00128   2.08411
   A142       2.12118  -0.00038  -0.00156  -0.00188  -0.00348   2.11770
   A143       2.08774  -0.00019  -0.00069  -0.00171  -0.00240   2.08534
   A144       2.07426   0.00057   0.00227   0.00360   0.00588   2.08014
   A145       2.04828   0.00121  -0.00584   0.00593  -0.00000   2.04828
   A146       2.11605   0.00043  -0.00756   0.00350  -0.00411   2.11195
   A147       2.11861  -0.00163   0.01366  -0.00928   0.00433   2.12294
   A148       2.05039   0.00076  -0.00414   0.00199  -0.00223   2.04816
   A149       2.11679   0.00022  -0.00684   0.00123  -0.00568   2.11111
   A150       2.11595  -0.00098   0.01120  -0.00318   0.00796   2.12391
   A151       2.12128  -0.00048  -0.00173  -0.00223  -0.00399   2.11730
   A152       2.07481   0.00053   0.00235   0.00293   0.00527   2.08008
   A153       2.08708  -0.00005  -0.00060  -0.00068  -0.00128   2.08580
   A154       2.10365  -0.00000   0.00333   0.00118   0.00443   2.10808
   A155       2.08596   0.00018  -0.00230   0.00053  -0.00177   2.08419
   A156       2.09357  -0.00018  -0.00095  -0.00170  -0.00266   2.09091
   A157       2.08085  -0.00046   0.00063  -0.00104  -0.00047   2.08038
   A158       2.09539   0.00072  -0.00043   0.00345   0.00304   2.09843
   A159       2.10690  -0.00026  -0.00019  -0.00238  -0.00254   2.10435
   A160       2.08088  -0.00038   0.00037  -0.00058  -0.00027   2.08061
   A161       2.09541   0.00073  -0.00036   0.00362   0.00329   2.09870
   A162       2.10685  -0.00035   0.00001  -0.00302  -0.00300   2.10386
   A163       2.10462  -0.00006   0.00362   0.00018   0.00373   2.10836
   A164       2.09301  -0.00015  -0.00113  -0.00124  -0.00238   2.09063
   A165       2.08553   0.00022  -0.00238   0.00105  -0.00134   2.08419
   A166       2.12007  -0.00035  -0.00187  -0.00167  -0.00357   2.11650
   A167       2.08775  -0.00015  -0.00036  -0.00133  -0.00169   2.08606
   A168       2.07536   0.00051   0.00226   0.00301   0.00526   2.08063
   A169       2.04950   0.00097  -0.00476   0.00385  -0.00098   2.04852
   A170       2.11798   0.00030  -0.00701   0.00226  -0.00481   2.11317
   A171       2.11563  -0.00127   0.01201  -0.00609   0.00586   2.12149
   A172       2.04735   0.00109  -0.00450   0.00433  -0.00025   2.04709
   A173       2.11866   0.00027  -0.00674   0.00217  -0.00462   2.11404
   A174       2.11706  -0.00136   0.01150  -0.00644   0.00500   2.12205
   A175       2.12173  -0.00042  -0.00175  -0.00199  -0.00378   2.11795
   A176       2.07394   0.00053   0.00221   0.00313   0.00533   2.07928
   A177       2.08751  -0.00011  -0.00044  -0.00112  -0.00155   2.08595
   A178       2.10478  -0.00011   0.00343   0.00002   0.00338   2.10816
   A179       2.08539   0.00023  -0.00237   0.00108  -0.00130   2.08409
   A180       2.09300  -0.00012  -0.00096  -0.00110  -0.00207   2.09093
   A181       2.07940  -0.00031   0.00038  -0.00022   0.00010   2.07951
   A182       2.09633   0.00065  -0.00035   0.00309   0.00276   2.09909
   A183       2.10740  -0.00034  -0.00001  -0.00285  -0.00284   2.10456
    D1       -0.00071   0.00034  -0.00490   0.01217   0.00727   0.00655
    D2       -3.10824   0.00012  -0.03304   0.00692  -0.02581  -3.13405
    D3       -3.13146   0.00002   0.00541  -0.00278   0.00265  -3.12881
    D4        0.04420  -0.00020  -0.02273  -0.00803  -0.03043   0.01377
    D5        0.02301  -0.00018   0.00338  -0.00874  -0.00526   0.01775
    D6       -3.08149  -0.00068  -0.00872  -0.02402  -0.03239  -3.11388
    D7       -3.12945   0.00016  -0.00692   0.00635  -0.00059  -3.13004
    D8        0.04923  -0.00034  -0.01902  -0.00892  -0.02771   0.02152
    D9       -2.27420  -0.00003   0.08604   0.01938   0.10551  -2.16869
   D10        0.85635   0.00014   0.08263   0.02582   0.10851   0.96487
   D11        0.87821  -0.00034   0.09644   0.00448   0.10085   0.97906
   D12       -2.27442  -0.00018   0.09303   0.01092   0.10386  -2.17057
   D13       -0.02539  -0.00029   0.00630  -0.00796  -0.00176  -0.02715
   D14        3.09949  -0.00006  -0.00711   0.00008  -0.00713   3.09236
   D15        3.08118  -0.00006   0.03444  -0.00253   0.03223   3.11341
   D16       -0.07713   0.00017   0.02103   0.00551   0.02686  -0.05026
   D17        0.02949   0.00008  -0.00604   0.00059  -0.00548   0.02401
   D18       -3.09611   0.00018  -0.00452   0.00535   0.00087  -3.09524
   D19       -3.09573  -0.00014   0.00709  -0.00727  -0.00021  -3.09594
   D20        0.06185  -0.00004   0.00861  -0.00251   0.00614   0.06799
   D21        3.07519   0.00001   0.00524   0.00009   0.00534   3.08053
   D22       -0.09983  -0.00025   0.00668  -0.00657   0.00013  -0.09970
   D23       -0.08332   0.00024  -0.00832   0.00819  -0.00015  -0.08348
   D24        3.02485  -0.00002  -0.00688   0.00154  -0.00537   3.01948
   D25       -0.00768   0.00005   0.00488   0.00255   0.00749  -0.00018
   D26        3.12111   0.00006   0.00559   0.00415   0.00986   3.13097
   D27        3.11806  -0.00007   0.00339  -0.00223   0.00115   3.11921
   D28       -0.03633  -0.00005   0.00410  -0.00063   0.00351  -0.03282
   D29        0.02475   0.00003   0.00464  -0.00034   0.00425   0.02900
   D30       -3.13990  -0.00004   0.00613  -0.00212   0.00379  -3.13611
   D31       -3.10088   0.00014   0.00609   0.00443   0.01049  -3.09039
   D32        0.01765   0.00007   0.00759   0.00265   0.01004   0.02769
   D33       -0.01875  -0.00002  -0.00342   0.00139  -0.00206  -0.02081
   D34        3.08495   0.00053   0.00806   0.01718   0.02556   3.11051
   D35        3.13616  -0.00006  -0.00403  -0.00039  -0.00452   3.13164
   D36       -0.04332   0.00049   0.00745   0.01540   0.02311  -0.02022
   D37        0.01619  -0.00043  -0.00557  -0.01091  -0.01648  -0.00029
   D38        3.08676  -0.00018  -0.01752  -0.00520  -0.02287   3.06388
   D39       -3.09295  -0.00016  -0.00698  -0.00437  -0.01135  -3.10430
   D40       -0.02239   0.00009  -0.01893   0.00134  -0.01774  -0.04013
   D41       -3.09862  -0.00003   0.01300  -0.00110   0.01174  -3.08688
   D42       -0.02928   0.00033   0.03240   0.00905   0.04166   0.01238
   D43        0.01002  -0.00027   0.01444  -0.00759   0.00670   0.01672
   D44        3.07937   0.00009   0.03383   0.00256   0.03662   3.11599
   D45        0.07386   0.00027   0.01959   0.00772   0.02722   0.10108
   D46       -3.09070   0.00046   0.02129   0.02261   0.04375  -3.04695
   D47       -2.99515   0.00008   0.03153   0.00208   0.03349  -2.96165
   D48        0.12348   0.00028   0.03323   0.01697   0.05002   0.17350
   D49        0.02839  -0.00000   0.01444  -0.00001   0.01451   0.04290
   D50       -3.07648   0.00065   0.02707   0.02326   0.05040  -3.02608
   D51        3.09706   0.00019   0.00226   0.00564   0.00785   3.10492
   D52       -0.00781   0.00085   0.01488   0.02891   0.04374   0.03594
   D53       -0.09477  -0.00006  -0.01921  -0.00210  -0.02133  -0.11609
   D54        3.07073   0.00002  -0.02079  -0.00018  -0.02080   3.04993
   D55        3.06875  -0.00028  -0.02084  -0.01648  -0.03714   3.03160
   D56       -0.04894  -0.00020  -0.02241  -0.01456  -0.03662  -0.08556
   D57       -3.06397  -0.00067   0.02658   0.00719   0.03286  -3.03112
   D58       -0.04558  -0.00057  -0.02981  -0.05801  -0.09111  -0.13669
   D59       -1.10895   0.00244   0.08530   0.09668   0.18667  -0.92227
   D60        0.05591  -0.00050   0.02822   0.02124   0.04847   0.10439
   D61        3.07431  -0.00040  -0.02817  -0.04397  -0.07550   2.99881
   D62        2.01094   0.00261   0.08694   0.11072   0.20229   2.21323
   D63       -3.11372   0.00056   0.00499   0.00601   0.01142  -3.10230
   D64        0.00377   0.00051   0.00656   0.00420   0.01101   0.01478
   D65       -0.00272   0.00036  -0.00474   0.01245   0.00775   0.00503
   D66        3.13326  -0.00006  -0.00114  -0.00528  -0.00639   3.12687
   D67       -3.07390   0.00001  -0.02455   0.00258  -0.02173  -3.09563
   D68        0.06208  -0.00041  -0.02095  -0.01514  -0.03587   0.02621
   D69        0.00797  -0.00025  -0.00039  -0.01079  -0.01112  -0.00316
   D70       -3.11835  -0.00078  -0.01812  -0.02761  -0.04537   3.11947
   D71       -3.12802   0.00016  -0.00394   0.00687   0.00290  -3.12512
   D72        0.02885  -0.00036  -0.02168  -0.00995  -0.03134  -0.00249
   D73       -2.28118  -0.00051   0.08455   0.00361   0.08817  -2.19301
   D74        0.85179  -0.00028   0.08341   0.01241   0.09581   0.94760
   D75        0.85482  -0.00094   0.08827  -0.01407   0.07422   0.92904
   D76       -2.29539  -0.00070   0.08713  -0.00526   0.08186  -2.21353
   D77       -0.02097   0.00007  -0.00460   0.00461   0.00002  -0.02095
   D78        3.08485  -0.00055  -0.01692  -0.01794  -0.03504   3.04980
   D79        3.10509   0.00062   0.01274   0.02180   0.03495   3.14004
   D80       -0.07227   0.00001   0.00041  -0.00075  -0.00011  -0.07239
   D81       -0.01896   0.00074  -0.01812  -0.01726  -0.03452  -0.05348
   D82        3.11652   0.00075  -0.01637  -0.01688  -0.03251   3.08401
   D83       -3.03897   0.00050   0.03753   0.04634   0.08634  -2.95263
   D84        0.09651   0.00050   0.03928   0.04672   0.08835   0.18486
   D85       -1.94472  -0.00576  -0.08324  -0.13049  -0.21719  -2.16192
   D86        1.19076  -0.00575  -0.08149  -0.13011  -0.21518   0.97557
   D87       -0.02991  -0.00039   0.00063   0.00564   0.00604  -0.02387
   D88       -3.12192  -0.00026   0.00613  -0.00067   0.00535  -3.11657
   D89        3.11774  -0.00039  -0.00104   0.00528   0.00408   3.12182
   D90        0.02573  -0.00026   0.00446  -0.00104   0.00339   0.02912
   D91       -3.14003   0.00018  -0.00045  -0.00099  -0.00123  -3.14126
   D92       -0.07026   0.00005  -0.00869  -0.00215  -0.01054  -0.08080
   D93       -0.00480   0.00019   0.00133  -0.00058   0.00086  -0.00395
   D94        3.06496   0.00006  -0.00691  -0.00174  -0.00844   3.05651
   D95        0.03645  -0.00022   0.00456   0.00032   0.00460   0.04105
   D96        3.12789  -0.00034  -0.00106   0.00668   0.00519   3.13308
   D97       -0.02157   0.00006  -0.00512  -0.00001  -0.00513  -0.02669
   D98        3.09304   0.00021   0.01275   0.00748   0.02049   3.11354
   D99       -3.11445   0.00021   0.00033  -0.00603  -0.00556  -3.12001
   D100       0.00016   0.00036   0.01820   0.00146   0.02006   0.02022
   D101      -0.02022   0.00004  -0.00636   0.00309  -0.00328  -0.02351
   D102       3.07208   0.00030   0.00874   0.01011   0.01913   3.09121
   D103      -3.08894   0.00017   0.00233   0.00439   0.00681  -3.08212
   D104       0.00336   0.00043   0.01743   0.01141   0.02923   0.03260
   D105       0.02434  -0.00023   0.00572  -0.00418   0.00155   0.02589
   D106       3.13813  -0.00003   0.00023  -0.00064  -0.00041   3.13772
   D107      -3.06916  -0.00041  -0.01018  -0.01067  -0.02049  -3.08966
   D108       0.04463  -0.00022  -0.01566  -0.00713  -0.02245   0.02217
   D109      -0.00270   0.00017   0.00022   0.00256   0.00280   0.00010
   D110      -3.11639   0.00001  -0.01880  -0.00520  -0.02370  -3.14009
   D111      -3.11585  -0.00006   0.00587  -0.00118   0.00477  -3.11108
   D112       0.05365  -0.00021  -0.01315  -0.00894  -0.02174   0.03191
   D113      -2.27216  -0.00021   0.08477   0.01208   0.09680  -2.17536
   D114       0.87437  -0.00024   0.08655   0.01141   0.09791   0.97228
   D115       0.84146  -0.00003   0.07938   0.01557   0.09499   0.93645
   D116      -2.29520  -0.00006   0.08115   0.01489   0.09610  -2.19910
   D117       3.13288   0.00003  -0.00058  -0.00122  -0.00185   3.13103
   D118       0.07133  -0.00058  -0.00814  -0.01879  -0.02676   0.04457
   D119       0.00069  -0.00012   0.00233  -0.00678  -0.00444  -0.00374
   D120      -3.06085  -0.00072  -0.00522  -0.02435  -0.02935  -3.09020
   D121      -3.13745   0.00010  -0.00260   0.00411   0.00149  -3.13596
   D122       0.08582  -0.00044  -0.00948  -0.01333  -0.02270   0.06312
   D123      -0.00519   0.00021  -0.00548   0.00943   0.00397  -0.00122
   D124      -3.06511  -0.00033  -0.01235  -0.00801  -0.02022  -3.08532
   D125      -3.13937  -0.00006   0.00222  -0.00385  -0.00169  -3.14105
   D126       0.08808  -0.00065  -0.00380  -0.02119  -0.02486   0.06323
   D127       0.00957  -0.00026   0.00321  -0.01140  -0.00819   0.00137
   D128      -3.04617  -0.00085  -0.00281  -0.02875  -0.03136  -3.07753
   D129       3.13445   0.00017  -0.00557   0.00625   0.00064   3.13509
   D130       0.07795  -0.00042  -0.01158  -0.01293  -0.02442   0.05353
   D131      -0.01445   0.00035  -0.00651   0.01361   0.00711  -0.00734
   D132      -3.07096  -0.00024  -0.01252  -0.00556  -0.01795  -3.08890
   D133       3.13678   0.00007  -0.00129   0.00167   0.00041   3.13719
   D134       0.07360  -0.00041  -0.00960  -0.01310  -0.02251   0.05109
   D135      -0.00901   0.00009  -0.00280   0.00223  -0.00056  -0.00957
   D136      -3.07219  -0.00038  -0.01111  -0.01254  -0.02348  -3.09567
   D137      -3.14076   0.00002  -0.00122   0.00038  -0.00082  -3.14158
   D138       0.07926  -0.00048  -0.00929  -0.01509  -0.02419   0.05507
   D139       0.00502  -0.00000   0.00029  -0.00018   0.00012   0.00514
   D140      -3.05814  -0.00050  -0.00779  -0.01566  -0.02325  -3.08140
   D141      -0.00117   0.00010   0.00122   0.00494   0.00610   0.00493
   D142      -3.12087   0.00008   0.00381   0.00412   0.00780  -3.11308
   D143       3.06185   0.00067   0.00545   0.02079   0.02648   3.08833
   D144      -0.05785   0.00065   0.00805   0.01998   0.02817  -0.02968
   D145       3.09780   0.00025  -0.00233   0.00531   0.00286   3.10065
   D146      -0.02012  -0.00006  -0.01119  -0.00494  -0.01608  -0.03620
   D147       0.05211  -0.00045  -0.00832  -0.01413  -0.02260   0.02951
   D148      -3.06581  -0.00076  -0.01719  -0.02438  -0.04154  -3.10735
   D149      -0.00764   0.00014  -0.00517   0.00342  -0.00169  -0.00933
   D150       3.11524   0.00006  -0.00702  -0.00077  -0.00774   3.10749
   D151       3.10771   0.00016  -0.00848   0.00438  -0.00405   3.10366
   D152      -0.05260   0.00008  -0.01032   0.00019  -0.01010  -0.06270
   D153       0.02060  -0.00032  -0.00254  -0.00981  -0.01231   0.00829
   D154      -3.13500  -0.00018  -0.00198  -0.00501  -0.00693   3.14126
   D155      -3.09224  -0.00032   0.00100  -0.01082  -0.00982  -3.10207
   D156       0.03534  -0.00018   0.00155  -0.00602  -0.00444   0.03090
   D157       0.01364  -0.00031   0.00721  -0.01053  -0.00335   0.01029
   D158       3.07723   0.00044   0.01109   0.00802   0.01931   3.09654
   D159      -3.11238  -0.00024   0.00860  -0.00698   0.00152  -3.11086
   D160      -0.04879   0.00051   0.01248   0.01158   0.02418  -0.02461
   D161      -3.10261  -0.00017  -0.00130  -0.00249  -0.00375  -3.10636
   D162       0.02715  -0.00007  -0.00073  -0.00044  -0.00114   0.02601
   D163       0.01849  -0.00028  -0.00325  -0.00713  -0.01032   0.00817
   D164      -3.13493  -0.00018  -0.00268  -0.00508  -0.00771   3.14054
   D165       3.08927   0.00046  -0.00746   0.01575   0.00818   3.09745
   D166      -0.03544   0.00027  -0.01724   0.00993  -0.00723  -0.04267
   D167       0.04267  -0.00029  -0.01339  -0.00604  -0.01957   0.02311
   D168      -3.08203  -0.00048  -0.02317  -0.01185  -0.03498  -3.11701
   D169       0.00392  -0.00002   0.00161   0.00164   0.00318   0.00710
   D170      -3.11986  -0.00000   0.00358   0.00149   0.00494  -3.11492
   D171       3.07261   0.00055   0.00734   0.01759   0.02517   3.09778
   D172      -0.05116   0.00057   0.00932   0.01744   0.02693  -0.02424
   D173       3.09831   0.00032  -0.00185   0.00707   0.00507   3.10338
   D174      -0.03208   0.00020  -0.01275   0.00312  -0.00957  -0.04165
   D175       0.04587  -0.00040  -0.00961  -0.01255  -0.02233   0.02354
   D176      -3.08452  -0.00052  -0.02052  -0.01650  -0.03697  -3.12149
   D177      -0.00702   0.00016  -0.00492   0.00413  -0.00072  -0.00774
   D178       3.11310   0.00012  -0.00704   0.00081  -0.00618   3.10692
   D179       3.11321   0.00014  -0.00745   0.00428  -0.00310   3.11011
   D180      -0.04985   0.00010  -0.00957   0.00096  -0.00856  -0.05842
   D181       0.01884  -0.00027  -0.00276  -0.00831  -0.01105   0.00779
   D182      -3.13357  -0.00019  -0.00190  -0.00537  -0.00722  -3.14079
   D183      -3.09933  -0.00024  -0.00006  -0.00844  -0.00852  -3.10785
   D184       0.03144  -0.00016   0.00080  -0.00550  -0.00469   0.02675
   D185       0.00754  -0.00023   0.00642  -0.00837  -0.00200   0.00555
   D186       3.07425   0.00046   0.01109   0.00858   0.01988   3.09413
   D187      -3.11619  -0.00018   0.00801  -0.00553   0.00237  -3.11382
   D188      -0.04948   0.00051   0.01269   0.01142   0.02425  -0.02524
   D189      -3.09899  -0.00022  -0.00108  -0.00347  -0.00451  -3.10350
   D190       0.02922  -0.00008  -0.00043  -0.00040  -0.00079   0.02843
   D191       0.01908  -0.00028  -0.00333  -0.00715  -0.01043   0.00865
   D192      -3.13589  -0.00015  -0.00268  -0.00409  -0.00672   3.14058
   D193       3.09285   0.00040  -0.00678   0.01408   0.00721   3.10006
   D194      -0.02575   0.00016  -0.01568   0.00651  -0.00911  -0.03486
   D195       0.04237  -0.00028  -0.01368  -0.00572  -0.01954   0.02283
   D196      -3.07623  -0.00052  -0.02258  -0.01329  -0.03586  -3.11209
   D197       0.00941  -0.00014   0.00415  -0.00336   0.00075   0.01016
   D198      -3.11379  -0.00012   0.00578  -0.00239   0.00328  -3.11051
   D199       3.07920   0.00042   0.01047   0.01067   0.02135   3.10055
   D200      -0.04401   0.00044   0.01210   0.01164   0.02389  -0.02012
   D201       3.09154   0.00033  -0.00348   0.00946   0.00587   3.09740
   D202      -0.03363   0.00021  -0.01409   0.00557  -0.00845  -0.04207
   D203       0.03753  -0.00027  -0.01209  -0.00724  -0.01950   0.01803
   D204      -3.08763  -0.00038  -0.02270  -0.01113  -0.03381  -3.12144
   D205      -0.00625   0.00014  -0.00393   0.00320  -0.00067  -0.00692
   D206       3.11215   0.00014  -0.00669   0.00246  -0.00418   3.10797
   D207       3.11327   0.00012  -0.00607   0.00209  -0.00392   3.10934
   D208      -0.05151   0.00012  -0.00883   0.00135  -0.00744  -0.05895
   D209       0.01648  -0.00023  -0.00403  -0.00600  -0.01000   0.00648
   D210      -3.13657  -0.00015  -0.00250  -0.00400  -0.00646   3.14015
   D211      -3.10093  -0.00018  -0.00176  -0.00474  -0.00651  -3.10744
   D212       0.02920  -0.00011  -0.00024  -0.00274  -0.00296   0.02624
   D213       0.00077  -0.00007   0.00225  -0.00185   0.00035   0.00112
   D214       3.07062   0.00050   0.00826   0.01276   0.02126   3.09188
   D215      -3.12154  -0.00006   0.00439  -0.00118   0.00307  -3.11846
   D216      -0.05168   0.00051   0.01040   0.01342   0.02398  -0.02770
   D217      -3.09882  -0.00021  -0.00071  -0.00543  -0.00615  -3.10497
   D218       0.03214  -0.00014   0.00059  -0.00366  -0.00306   0.02907
   D219       0.01738  -0.00023  -0.00365  -0.00630  -0.00994   0.00745
   D220      -3.13485  -0.00016  -0.00236  -0.00452  -0.00684   3.14149
   D221       3.10292   0.00026  -0.00166   0.00767   0.00588   3.10880
   D222      -0.02589   0.00020  -0.01242   0.00557  -0.00678  -0.03267
   D223       0.04882  -0.00036  -0.00999  -0.00980  -0.01995   0.02887
   D224      -3.07999  -0.00042  -0.02075  -0.01190  -0.03260  -3.11259
   D225       0.01540  -0.00007  -0.00500  -0.00200  -0.00694   0.00846
   D226      -3.12974  -0.00013   0.00368  -0.00423  -0.00054  -3.13029
   D227      -3.11428  -0.00018  -0.00556  -0.00411  -0.00961  -3.12389
   D228       0.02377  -0.00024   0.00311  -0.00635  -0.00321   0.02055
   D229      -0.02127   0.00030   0.00381   0.00765   0.01146  -0.00981
   D230       3.12633   0.00000   0.00974   0.00008   0.00977   3.13610
   D231       3.12385   0.00036  -0.00485   0.00989   0.00508   3.12894
   D232      -0.01173   0.00006   0.00108   0.00232   0.00340  -0.00833
   D233      -0.00765  -0.00014   0.00564  -0.00367   0.00183  -0.00582
   D234       3.11703   0.00006   0.01493   0.00228   0.01725   3.13429
   D235       3.12798   0.00015  -0.00023   0.00383   0.00348   3.13146
   D236      -0.03052   0.00036   0.00906   0.00978   0.01890  -0.01162
   D237      -0.01091  -0.00007   0.00352  -0.00135   0.00205  -0.00887
   D238       3.13260   0.00009  -0.00178   0.00254   0.00065   3.13325
   D239       3.10712   0.00026   0.01191   0.00892   0.02086   3.12797
   D240      -0.03256   0.00041   0.00660   0.01280   0.01946  -0.01309
   D241      -0.02463   0.00036   0.00222   0.01103   0.01327  -0.01136
   D242       3.12761   0.00027  -0.00443   0.00721   0.00283   3.13043
   D243       3.11502   0.00020   0.00760   0.00712   0.01468   3.12970
   D244      -0.01592   0.00011   0.00094   0.00330   0.00423  -0.01169
   D245       0.01930  -0.00015  -0.00273  -0.00515  -0.00782   0.01147
   D246      -3.10820  -0.00031  -0.00329  -0.01003  -0.01327  -3.12146
   D247      -3.13299  -0.00006   0.00394  -0.00130   0.00267  -3.13033
   D248       0.02270  -0.00021   0.00338  -0.00618  -0.00278   0.01992
   D249       0.01587  -0.00007  -0.00497  -0.00196  -0.00687   0.00899
   D250      -3.13184  -0.00009   0.00360  -0.00301   0.00061  -3.13124
   D251      -3.11225  -0.00022  -0.00562  -0.00510  -0.01065  -3.12290
   D252       0.02323  -0.00023   0.00295  -0.00616  -0.00318   0.02005
   D253      -0.02277   0.00031   0.00369   0.00779   0.01148  -0.01129
   D254       3.12185   0.00006   0.00929   0.00154   0.01078   3.13262
   D255       3.12491   0.00033  -0.00486   0.00885   0.00403   3.12894
   D256      -0.01366   0.00007   0.00074   0.00259   0.00333  -0.01032
   D257      -0.00628  -0.00016   0.00589  -0.00397   0.00177  -0.00451
   D258       3.11228   0.00012   0.01426   0.00380   0.01808   3.13036
   D259       3.13231   0.00009   0.00034   0.00223   0.00245   3.13476
   D260      -0.03231   0.00037   0.00871   0.00999   0.01876  -0.01355
   D261      -0.00975  -0.00006   0.00384  -0.00103   0.00267  -0.00708
   D262       3.12786   0.00021  -0.00235   0.00619   0.00374   3.13160
   D263       3.12065   0.00007   0.01435   0.00295   0.01733   3.13798
   D264      -0.02493   0.00033   0.00816   0.01017   0.01840  -0.00653
   D265      -0.02123   0.00032   0.00288   0.00980   0.01271  -0.00852
   D266       3.12485   0.00033  -0.00470   0.00916   0.00452   3.12937
   D267       3.12437   0.00006   0.00913   0.00252   0.01162   3.13599
   D268      -0.01273   0.00007   0.00155   0.00188   0.00343  -0.00930
   D269       0.01626  -0.00015  -0.00341  -0.00487  -0.00824   0.00802
   D270      -3.11445  -0.00023  -0.00428  -0.00787  -0.01212  -3.12656
   D271      -3.12984  -0.00016   0.00418  -0.00423  -0.00001  -3.12985
   D272       0.02264  -0.00024   0.00332  -0.00722  -0.00389   0.01875
   D273       0.01710  -0.00011  -0.00347  -0.00360  -0.00702   0.01007
   D274      -3.13014  -0.00016   0.00432  -0.00470  -0.00035  -3.13049
   D275      -3.11378  -0.00019  -0.00476  -0.00543  -0.01016  -3.12395
   D276       0.02216  -0.00023   0.00302  -0.00652  -0.00349   0.01867
   D277      -0.01953   0.00027   0.00367   0.00724   0.01094  -0.00859
   D278       3.12309   0.00001   0.00928   0.00075   0.01001   3.13310
   D279       3.12769   0.00031  -0.00410   0.00834   0.00429   3.13198
   D280      -0.01287   0.00006   0.00151   0.00185   0.00336  -0.00951
   D281      -0.01322  -0.00005   0.00331  -0.00059   0.00260  -0.01062
   D282       3.11561   0.00002   0.01363   0.00157   0.01524   3.13085
   D283       3.12735   0.00020  -0.00224   0.00585   0.00353   3.13087
   D284      -0.02701   0.00027   0.00807   0.00801   0.01616  -0.01085
   D285      -0.00480  -0.00012   0.00458  -0.00251   0.00194  -0.00286
   D286       3.13386   0.00014  -0.00142   0.00396   0.00245   3.13630
   D287       3.12038   0.00002   0.01473   0.00147   0.01623   3.13661
   D288      -0.02415   0.00027   0.00873   0.00794   0.01673  -0.00742
   D289      -0.02153   0.00029   0.00356   0.00780   0.01137  -0.01016
   D290       3.12465   0.00033  -0.00469   0.00893   0.00429   3.12895
   D291       3.12301   0.00003   0.00962   0.00127   0.01086   3.13387
   D292      -0.01399   0.00008   0.00137   0.00241   0.00378  -0.01021
   D293       0.01521  -0.00010  -0.00382  -0.00331  -0.00707   0.00814
   D294      -3.11484  -0.00019  -0.00535  -0.00535  -0.01066  -3.12551
   D295      -3.13099  -0.00015   0.00444  -0.00444   0.00003  -3.13096
   D296       0.02214  -0.00023   0.00291  -0.00649  -0.00356   0.01858
         Item               Value     Threshold  Converged?
 Maximum Force            0.008109     0.000450     NO 
 RMS     Force            0.001166     0.000300     NO 
 Maximum Displacement     1.021330     0.001800     NO 
 RMS     Displacement     0.176471     0.001200     NO 
 Predicted change in Energy=-5.847242D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.026282    2.966299    0.155653
      2          6           0       -2.308016    1.622574   -0.065855
      3          6           0       -1.273968    0.671029   -0.131265
      4          6           0        0.057910    1.119140    0.000182
      5          6           0        0.327300    2.484170    0.220531
      6          6           0       -0.698604    3.401985    0.311086
      7          6           0       -1.551828   -0.772145   -0.304586
      8          6           0       -0.478706   -1.696747   -0.440978
      9          6           0        0.870915   -1.199943   -0.407088
     10          6           0        1.168025    0.173856   -0.119357
     11          6           0       -2.862739   -1.266826   -0.292734
     12          6           0       -3.113170   -2.634044   -0.391644
     13          6           0       -2.051785   -3.546905   -0.499538
     14          6           0       -0.753333   -3.082817   -0.511098
     15          7           0        1.929905   -2.003222   -0.637379
     16          6           0        3.226420   -1.599636   -0.491993
     17          6           0        3.444656   -0.240893   -0.140597
     18          7           0        2.407454    0.622396    0.014908
     19          6           0        4.299940   -2.490177   -0.676719
     20          6           0        5.582803   -2.023894   -0.515771
     21          6           0        5.826088   -0.655765   -0.195803
     22          6           0        4.776830    0.221397   -0.011251
     23          7           0       -3.083137    3.907534    0.233741
     24          7           0       -4.440561   -3.113590   -0.359890
     25          7           0        7.163208   -0.226259   -0.035895
     26          6           0       -4.939099   -4.097034    0.524393
     27          6           0       -6.308598   -4.306726    0.246501
     28          6           0       -6.663031   -3.426797   -0.850681
     29          6           0       -5.499741   -2.700857   -1.196569
     30          6           0       -3.213122    5.068118   -0.555762
     31          6           0       -4.403619    5.738933   -0.190698
     32          6           0       -5.021370    4.965737    0.868319
     33          6           0       -4.191169    3.845404    1.104445
     34          6           0        7.703202    0.422050    1.097446
     35          6           0        9.073556    0.679075    0.864043
     36          6           0        9.382654    0.183864   -0.463218
     37          6           0        8.191587   -0.366796   -0.990260
     38          6           0       -7.839003   -3.210368   -1.577137
     39          6           0       -7.831026   -2.295480   -2.625429
     40          6           0       -6.659832   -1.601386   -2.963498
     41          6           0       -5.474022   -1.795219   -2.257004
     42          6           0       -4.278085   -4.739885    1.570873
     43          6           0       -5.019061   -5.643720    2.330011
     44          6           0       -6.374407   -5.887157    2.058807
     45          6           0       -7.026451   -5.220085    1.026795
     46          6           0       -6.173057    5.133930    1.645705
     47          6           0       -6.465157    4.201851    2.635761
     48          6           0       -5.615346    3.109207    2.866404
     49          6           0       -4.463455    2.914189    2.107096
     50          6           0       -2.391442    5.516252   -1.590111
     51          6           0       -2.770575    6.684320   -2.248642
     52          6           0       -3.937359    7.377300   -1.891035
     53          6           0       -4.758448    6.909797   -0.870031
     54          6           0       10.537986    0.181559   -1.252195
     55          6           0       10.482784   -0.353264   -2.535543
     56          6           0        9.284522   -0.875145   -3.045341
     57          6           0        8.117401   -0.884567   -2.283292
     58          6           0        7.081154    0.730098    2.306820
     59          6           0        7.862011    1.331521    3.291953
     60          6           0        9.219864    1.612437    3.076834
     61          6           0        9.832119    1.285961    1.871505
     62          1           0       -3.344348    1.336550   -0.186351
     63          1           0        1.364901    2.780244    0.325212
     64          1           0       -0.511284    4.452268    0.508677
     65          1           0       -3.710097   -0.606121   -0.167831
     66          1           0       -2.271598   -4.607114   -0.554331
     67          1           0        0.050481   -3.807737   -0.507687
     68          1           0        1.772076   -3.007313   -0.720040
     69          1           0        4.095867   -3.538778   -0.866353
     70          1           0        6.436609   -2.686659   -0.603175
     71          1           0        4.948084    1.263710    0.230854
     72          1           0       -8.744125   -3.758012   -1.329019
     73          1           0       -8.741079   -2.112395   -3.188740
     74          1           0       -6.675996   -0.895399   -3.789360
     75          1           0       -4.563691   -1.266692   -2.517675
     76          1           0       -3.233472   -4.539922    1.785498
     77          1           0       -4.533072   -6.167904    3.147952
     78          1           0       -6.918252   -6.605956    2.664355
     79          1           0       -8.080659   -5.397653    0.831989
     80          1           0       -6.824429    5.988109    1.481669
     81          1           0       -7.360992    4.317092    3.238359
     82          1           0       -5.859398    2.398248    3.650962
     83          1           0       -3.797945    2.077321    2.287886
     84          1           0       -1.492604    4.973887   -1.863657
     85          1           0       -2.147072    7.065303   -3.052849
     86          1           0       -4.197560    8.290754   -2.417290
     87          1           0       -5.668394    7.441545   -0.605308
     88          1           0       11.464287    0.599507   -0.867540
     89          1           0       11.376392   -0.369246   -3.152093
     90          1           0        9.263031   -1.280473   -4.053141
     91          1           0        7.186069   -1.277911   -2.676311
     92          1           0        6.032761    0.507174    2.470590
     93          1           0        7.406493    1.588914    4.244058
     94          1           0        9.795911    2.092576    3.862048
     95          1           0       10.887401    1.491474    1.713990
     96         17           0        1.604042   -4.274944    1.210330
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0466384           0.0188146           0.0148529
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7865.3011818281 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.58D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999997   -0.002119   -0.001276   -0.000130 Ang=  -0.28 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.56320324     A.U. after   15 cycles
            NFock= 15  Conv=0.53D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.005492101    0.003085767    0.000508816
      2        6           0.002107620    0.000102595    0.001298112
      3        6          -0.002681265   -0.006583691    0.000388627
      4        6           0.003612694    0.001450220   -0.000245545
      5        6           0.002612746   -0.001348553   -0.000158319
      6        6          -0.000771184    0.000462226   -0.000837182
      7        6          -0.002811895    0.006413824   -0.000548035
      8        6           0.000407247   -0.000613080    0.002739983
      9        6           0.003005378   -0.000508150   -0.004065134
     10        6          -0.003554127    0.003537350   -0.000686908
     11        6           0.002156546    0.001620990   -0.001213233
     12        6          -0.003962457   -0.005367725   -0.000584979
     13        6          -0.002860556    0.000981165    0.002312443
     14        6          -0.000500821    0.000557058   -0.004459459
     15        7          -0.004091062    0.006723488    0.004202294
     16        6          -0.003168409   -0.000809916   -0.001922642
     17        6          -0.000878868    0.004287152   -0.001601037
     18        7           0.002818459   -0.001539050   -0.000109748
     19        6           0.001393004   -0.003223003    0.001150777
     20        6          -0.000297578    0.002873726   -0.000688096
     21        6           0.005881289    0.000716347    0.001196988
     22        6          -0.002158575   -0.000465459    0.001173545
     23        7          -0.005003495    0.002097966    0.000028949
     24        7          -0.005897358   -0.002210151   -0.000102504
     25        7           0.003902006    0.003537430    0.000702842
     26        6           0.003726028    0.007645516   -0.004392567
     27        6          -0.000965241   -0.000559345    0.000845093
     28        6          -0.000895880   -0.000715488   -0.000798036
     29        6           0.008165272    0.000040644    0.004203858
     30        6           0.003512527   -0.007498545    0.003237926
     31        6          -0.000851021    0.000486775   -0.000918271
     32        6          -0.000873886    0.000548144    0.000910445
     33        6           0.008023295    0.000813876   -0.003324146
     34        6          -0.003582064   -0.005794353   -0.005599652
     35        6           0.001003886    0.000085948    0.001016504
     36        6           0.000693263    0.000810572   -0.000799001
     37        6          -0.007395266   -0.000918709    0.003717209
     38        6          -0.000444091   -0.001459174    0.001187303
     39        6          -0.001655373    0.000067658   -0.000364975
     40        6           0.000847450    0.002209262   -0.000561947
     41        6          -0.001263428   -0.000010308    0.000242787
     42        6          -0.000683688   -0.001294912    0.000136609
     43        6           0.002153081    0.000172336    0.000662566
     44        6          -0.000565058   -0.001544869    0.000500408
     45        6          -0.001386370    0.000054926   -0.001189385
     46        6          -0.000544027    0.001475477   -0.001107126
     47        6          -0.001631148   -0.000224777    0.000359392
     48        6           0.000989450   -0.002122343    0.000527991
     49        6          -0.001115696    0.000138500   -0.000317372
     50        6          -0.000344643    0.001174869    0.000328336
     51        6           0.002178256    0.000225425   -0.000496187
     52        6          -0.000642677    0.001532563   -0.000343252
     53        6          -0.001468151   -0.000208808    0.001128086
     54        6           0.000641601    0.000991860    0.001525507
     55        6           0.001602523   -0.000022114   -0.000460068
     56        6          -0.001027174   -0.001644417   -0.001021717
     57        6           0.001316099   -0.000338912    0.000154610
     58        6           0.000612143    0.001131549    0.000081065
     59        6          -0.002182345   -0.000091466    0.000607201
     60        6           0.000577913    0.001329807    0.000891145
     61        6           0.001399070    0.000220771   -0.001286485
     62        1           0.000156943   -0.000234614   -0.000765162
     63        1          -0.001079914    0.000863266    0.000341705
     64        1           0.001573489   -0.000461544   -0.000112460
     65        1           0.000243622    0.000288006    0.000517709
     66        1           0.001885094    0.000492149   -0.000335386
     67        1           0.000915030   -0.000906833   -0.000553764
     68        1           0.001603130   -0.009696010    0.009120674
     69        1          -0.000007639    0.000230096    0.000057004
     70        1          -0.000990626   -0.001272140   -0.000358707
     71        1          -0.000474558   -0.000322993   -0.000422488
     72        1           0.000039423    0.000358410   -0.000183534
     73        1           0.000303673   -0.000407650   -0.000075505
     74        1           0.000195734   -0.000397892    0.000275652
     75        1          -0.000579471    0.000065569   -0.001088790
     76        1          -0.000461843   -0.001052717    0.000749958
     77        1          -0.000306717    0.000093649   -0.000259248
     78        1          -0.000228371    0.000424900    0.000056978
     79        1           0.000355049   -0.000108409    0.000242132
     80        1           0.000061195   -0.000380376    0.000140307
     81        1           0.000248219    0.000412695    0.000100432
     82        1           0.000124606    0.000378177   -0.000271995
     83        1          -0.000637816   -0.000334379    0.000899540
     84        1          -0.000479043    0.000701665   -0.001048528
     85        1          -0.000316551   -0.000266418    0.000200495
     86        1          -0.000221374   -0.000456287   -0.000119121
     87        1           0.000339143    0.000150168   -0.000239358
     88        1          -0.000066847   -0.000271893   -0.000306850
     89        1          -0.000280136    0.000395868    0.000058217
     90        1          -0.000108586    0.000294102    0.000333553
     91        1           0.000653566    0.000250400   -0.001019801
     92        1           0.000246844    0.000190283    0.001137103
     93        1           0.000265077   -0.000145350   -0.000310591
     94        1           0.000240990   -0.000445734   -0.000053901
     95        1          -0.000335723    0.000039015    0.000215322
     96       17           0.005432520   -0.000953642   -0.004686003
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009696010 RMS     0.002235472

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.013715407 RMS     0.001429545
 Search for a local minimum.
 Step number   7 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    6    7
 DE= -7.58D-03 DEPred=-5.85D-03 R= 1.30D+00
 TightC=F SS=  1.41D+00  RLast= 7.97D-01 DXNew= 4.0363D+00 2.3901D+00
 Trust test= 1.30D+00 RLast= 7.97D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00248   0.02428   0.02707   0.02714   0.02726
     Eigenvalues ---    0.02733   0.02745   0.02747   0.02750   0.02756
     Eigenvalues ---    0.02769   0.02776   0.02778   0.02783   0.02788
     Eigenvalues ---    0.02792   0.02793   0.02794   0.02795   0.02798
     Eigenvalues ---    0.02812   0.02816   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02825   0.02828   0.02833
     Eigenvalues ---    0.02835   0.02838   0.02841   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02849   0.02857
     Eigenvalues ---    0.02857   0.02864   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02871   0.02872   0.02872   0.02876
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02886
     Eigenvalues ---    0.02894   0.02897   0.02897   0.02899   0.02900
     Eigenvalues ---    0.02901   0.02902   0.02904   0.02910   0.02911
     Eigenvalues ---    0.02912   0.02917   0.02938   0.02943   0.02944
     Eigenvalues ---    0.02965   0.02990   0.03021   0.03025   0.03098
     Eigenvalues ---    0.03127   0.03129   0.03135   0.03138   0.03144
     Eigenvalues ---    0.03256   0.03569   0.03949   0.05074   0.15486
     Eigenvalues ---    0.15613   0.15935   0.15964   0.15977   0.15991
     Eigenvalues ---    0.15997   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16006   0.16029   0.16075   0.20560   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22000   0.22068
     Eigenvalues ---    0.22414   0.22430   0.22469   0.22581   0.22598
     Eigenvalues ---    0.22600   0.22600   0.22614   0.22662   0.23095
     Eigenvalues ---    0.23476   0.23512   0.23562   0.24214   0.24463
     Eigenvalues ---    0.24467   0.24488   0.24496   0.24502   0.24603
     Eigenvalues ---    0.24621   0.24652   0.24806   0.24866   0.24944
     Eigenvalues ---    0.24951   0.24951   0.24957   0.24960   0.24964
     Eigenvalues ---    0.24985   0.24991   0.24995   0.24998   0.24999
     Eigenvalues ---    0.25002   0.25219   0.26424   0.31621   0.33224
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33284   0.33323   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33396   0.33399   0.33459   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33665   0.33717
     Eigenvalues ---    0.33844   0.33863   0.33881   0.33887   0.33903
     Eigenvalues ---    0.33907   0.33937   0.33953   0.34233   0.34346
     Eigenvalues ---    0.34780   0.36087   0.40532   0.44443   0.44462
     Eigenvalues ---    0.44677   0.45192   0.46136   0.48244   0.48900
     Eigenvalues ---    0.48941   0.48944   0.49655   0.49684   0.50170
     Eigenvalues ---    0.50357   0.50373   0.50384   0.50594   0.50611
     Eigenvalues ---    0.50625   0.50908   0.52365   0.52997   0.53693
     Eigenvalues ---    0.54080   0.54099   0.54185   0.54190   0.54203
     Eigenvalues ---    0.54573   0.54831   0.54895   0.55039   0.55440
     Eigenvalues ---    0.55578   0.55597   0.55721   0.55903   0.55937
     Eigenvalues ---    0.56048   0.56126   0.56137   0.56147   0.56275
     Eigenvalues ---    0.56477   0.56594   0.56664   0.56664   0.56666
     Eigenvalues ---    0.56680   0.56701   0.56703   0.56719   0.56824
     Eigenvalues ---    0.56908   0.56917   0.57119   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57179   0.59391   0.61891
     Eigenvalues ---    0.63284   0.65324   0.65998   0.66094   0.67582
     Eigenvalues ---    0.67727   0.68078   0.69782   0.69918   0.69989
     Eigenvalues ---    0.73901   0.76399
 RFO step:  Lambda=-1.19590944D-02 EMin= 2.48255095D-03
 Quartic linear search produced a step of  0.94171.
 Iteration  1 RMS(Cart)=  0.15784426 RMS(Int)=  0.02838738
 Iteration  2 RMS(Cart)=  0.03402775 RMS(Int)=  0.01732399
 Iteration  3 RMS(Cart)=  0.00674719 RMS(Int)=  0.00838109
 Iteration  4 RMS(Cart)=  0.00467058 RMS(Int)=  0.00502619
 Iteration  5 RMS(Cart)=  0.00017367 RMS(Int)=  0.00502549
 Iteration  6 RMS(Cart)=  0.00002332 RMS(Int)=  0.00502548
 Iteration  7 RMS(Cart)=  0.00000412 RMS(Int)=  0.00502548
 Iteration  8 RMS(Cart)=  0.00000074 RMS(Int)=  0.00502548
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.62803   0.00131  -0.00507   0.00003  -0.00504   2.62299
    R2        2.65687   0.00163  -0.00444   0.00050  -0.00393   2.65294
    R3        2.67846  -0.00184   0.00149  -0.00441  -0.00291   2.67555
    R4        2.65839   0.00027  -0.00044  -0.00066  -0.00110   2.65729
    R5        2.04433   0.00008   0.00251   0.00122   0.00372   2.04805
    R6        2.66711   0.00122  -0.00536  -0.00202  -0.00782   2.65929
    R7        2.79654  -0.00456  -0.00277  -0.01354  -0.01679   2.77975
    R8        2.66205  -0.00012   0.00112  -0.00096   0.00016   2.66222
    R9        2.76456  -0.00199   0.00068  -0.00570  -0.00499   2.75957
   R10        2.60691   0.00146  -0.00066   0.00194   0.00129   2.60820
   R11        2.04862  -0.00048  -0.00017  -0.00115  -0.00132   2.04730
   R12        2.05035  -0.00056   0.00281  -0.00040   0.00241   2.05277
   R13        2.68918   0.00379  -0.00167   0.00580   0.00415   2.69333
   R14        2.64787  -0.00032  -0.00268  -0.00257  -0.00529   2.64258
   R15        2.71847   0.00436   0.00140   0.00871   0.01056   2.72903
   R16        2.67350   0.00085   0.00349   0.00210   0.00568   2.67918
   R17        2.71121   0.00491   0.00202   0.01098   0.01347   2.72468
   R18        2.54920   0.00408   0.00078   0.00729   0.01012   2.55933
   R19        2.50372   0.00038  -0.00501  -0.00213  -0.00921   2.49451
   R20        2.63329   0.00196  -0.00274   0.00188  -0.00096   2.63233
   R21        2.04418  -0.00006   0.00248   0.00078   0.00326   2.04744
   R22        2.65336   0.00049  -0.00732  -0.00328  -0.01065   2.64272
   R23        2.66776  -0.00112   0.00108  -0.00336  -0.00228   2.66547
   R24        2.60583   0.00240   0.00245   0.00493   0.00742   2.61325
   R25        2.04873  -0.00044   0.00273  -0.00001   0.00272   2.05145
   R26        2.04548   0.00121  -0.00147   0.00369   0.00221   2.04770
   R27        2.58068  -0.00031  -0.00090  -0.00220  -0.00097   2.57971
   R28        1.92710   0.00582   0.01132   0.02340   0.09446   2.02155
   R29        5.56778   0.00462   0.05303   0.08374   0.07120   5.63898
   R30        2.68400   0.00072  -0.00449  -0.00326  -0.00739   2.67661
   R31        2.65883   0.00182   0.00231   0.00317   0.00582   2.66465
   R32        2.56700  -0.00369  -0.00256  -0.00848  -0.01320   2.55380
   R33        2.67590  -0.00036  -0.00017  -0.00214  -0.00225   2.67366
   R34        2.59730   0.00116  -0.00115   0.00141   0.00017   2.59747
   R35        2.05031  -0.00024  -0.00025  -0.00040  -0.00064   2.04966
   R36        2.69466   0.00035  -0.00295  -0.00159  -0.00494   2.68972
   R37        2.04918  -0.00035   0.00149  -0.00029   0.00121   2.05039
   R38        2.60783   0.00226  -0.00396   0.00261  -0.00169   2.60615
   R39        2.67110  -0.00181   0.00014  -0.00487  -0.00473   2.66637
   R40        2.04785  -0.00037   0.00164  -0.00028   0.00136   2.04922
   R41        2.66389  -0.00389  -0.01173  -0.01363  -0.02531   2.63858
   R42        2.66560  -0.00424  -0.00855  -0.01275  -0.02126   2.64434
   R43        2.67091  -0.00381  -0.01067  -0.01312  -0.02376   2.64715
   R44        2.66729  -0.00449  -0.00901  -0.01338  -0.02234   2.64495
   R45        2.67004  -0.00418  -0.00818  -0.01261  -0.02075   2.64929
   R46        2.66453  -0.00368  -0.00958  -0.01231  -0.02185   2.64268
   R47        2.67029   0.00176  -0.00378   0.00114  -0.00269   2.66760
   R48        2.63569   0.00196  -0.00416   0.00146  -0.00268   2.63301
   R49        2.74089  -0.00124  -0.00251  -0.00477  -0.00733   2.73356
   R50        2.64453   0.00039   0.00018  -0.00009   0.00006   2.64459
   R51        2.67239   0.00148  -0.00183   0.00121  -0.00060   2.67179
   R52        2.64392   0.00027   0.00021  -0.00033  -0.00014   2.64378
   R53        2.63572   0.00173  -0.00227   0.00186  -0.00038   2.63534
   R54        2.67284   0.00155  -0.00367   0.00066  -0.00302   2.66982
   R55        2.63606   0.00186  -0.00435   0.00116  -0.00317   2.63289
   R56        2.73910  -0.00093  -0.00258  -0.00421  -0.00684   2.73226
   R57        2.64448   0.00042  -0.00009  -0.00017  -0.00027   2.64421
   R58        2.67257   0.00150  -0.00207   0.00121  -0.00086   2.67170
   R59        2.64494   0.00029   0.00036  -0.00022   0.00012   2.64506
   R60        2.63656   0.00156  -0.00222   0.00155  -0.00065   2.63591
   R61        2.67141   0.00151  -0.00302   0.00079  -0.00224   2.66917
   R62        2.63508   0.00166  -0.00338   0.00122  -0.00214   2.63295
   R63        2.74004  -0.00097  -0.00271  -0.00435  -0.00711   2.73292
   R64        2.64474   0.00029   0.00014  -0.00033  -0.00021   2.64454
   R65        2.67224   0.00145  -0.00301   0.00076  -0.00226   2.66997
   R66        2.64378   0.00035  -0.00003  -0.00027  -0.00032   2.64346
   R67        2.63583   0.00176  -0.00324   0.00146  -0.00176   2.63407
   R68        2.62937   0.00066  -0.00090  -0.00006  -0.00099   2.62838
   R69        2.05340  -0.00031   0.00012  -0.00058  -0.00046   2.05294
   R70        2.65084   0.00132  -0.00063   0.00100   0.00036   2.65120
   R71        2.05193  -0.00020   0.00056   0.00000   0.00056   2.05249
   R72        2.63402   0.00014  -0.00186  -0.00146  -0.00330   2.63071
   R73        2.05340  -0.00049  -0.00011  -0.00117  -0.00128   2.05212
   R74        2.04928  -0.00013   0.00075   0.00007   0.00082   2.05010
   R75        2.63361   0.00025  -0.00205  -0.00134  -0.00337   2.63025
   R76        2.05039  -0.00066   0.00324  -0.00053   0.00271   2.05310
   R77        2.65221   0.00102   0.00019   0.00071   0.00091   2.65312
   R78        2.05275  -0.00039  -0.00025  -0.00092  -0.00117   2.05158
   R79        2.62882   0.00049  -0.00050  -0.00024  -0.00076   2.62806
   R80        2.05201  -0.00020   0.00054  -0.00002   0.00052   2.05253
   R81        2.05349  -0.00033   0.00014  -0.00064  -0.00050   2.05300
   R82        2.62822   0.00072  -0.00111  -0.00002  -0.00116   2.62706
   R83        2.05348  -0.00031   0.00007  -0.00061  -0.00054   2.05293
   R84        2.65185   0.00134  -0.00057   0.00105   0.00047   2.65232
   R85        2.05183  -0.00019   0.00052   0.00002   0.00054   2.05237
   R86        2.63306   0.00022  -0.00197  -0.00134  -0.00329   2.62976
   R87        2.05325  -0.00047  -0.00015  -0.00113  -0.00128   2.05198
   R88        2.04923  -0.00010   0.00070   0.00015   0.00084   2.05007
   R89        2.63330   0.00028  -0.00215  -0.00132  -0.00345   2.62985
   R90        2.05007  -0.00044   0.00353   0.00030   0.00383   2.05390
   R91        2.65201   0.00115   0.00005   0.00094   0.00099   2.65300
   R92        2.05334  -0.00043  -0.00023  -0.00104  -0.00126   2.05207
   R93        2.62882   0.00058  -0.00033   0.00003  -0.00032   2.62851
   R94        2.05194  -0.00020   0.00049  -0.00002   0.00047   2.05241
   R95        2.05350  -0.00032   0.00011  -0.00063  -0.00052   2.05297
   R96        2.62941   0.00060  -0.00070  -0.00010  -0.00082   2.62859
   R97        2.05335  -0.00032   0.00009  -0.00063  -0.00053   2.05282
   R98        2.65107   0.00123  -0.00052   0.00086   0.00033   2.65140
   R99        2.05183  -0.00020   0.00049  -0.00002   0.00047   2.05230
   R100       2.63410   0.00015  -0.00189  -0.00146  -0.00334   2.63076
   R101       2.05313  -0.00043  -0.00026  -0.00105  -0.00131   2.05182
   R102       2.04977  -0.00023   0.00189   0.00025   0.00214   2.05191
   R103       2.63340   0.00023  -0.00197  -0.00133  -0.00328   2.63011
   R104       2.04898  -0.00016   0.00214   0.00059   0.00272   2.05170
   R105       2.65165   0.00122  -0.00048   0.00087   0.00038   2.65203
   R106       2.05299  -0.00042  -0.00024  -0.00100  -0.00124   2.05175
   R107       2.62819   0.00071  -0.00090   0.00006  -0.00086   2.62733
   R108       2.05183  -0.00020   0.00047  -0.00002   0.00045   2.05228
   R109       2.05335  -0.00031   0.00006  -0.00063  -0.00056   2.05279
   R110       4.37562  -0.00701  -0.44724  -0.24449  -0.62534   3.75029
    A1        2.10405  -0.00235   0.00511  -0.00983  -0.00465   2.09940
    A2        2.09365   0.00026   0.00334   0.00373   0.00701   2.10067
    A3        2.08547   0.00209  -0.00842   0.00612  -0.00235   2.08312
    A4        2.10838   0.00181  -0.00193   0.00836   0.00625   2.11462
    A5        2.05700  -0.00055  -0.00455  -0.00401  -0.00886   2.04814
    A6        2.11781  -0.00126   0.00696  -0.00435   0.00229   2.12010
    A7        2.06526  -0.00028  -0.00277  -0.00246  -0.00507   2.06020
    A8        2.12595  -0.00004   0.00083   0.00299   0.00388   2.12983
    A9        2.09176   0.00033   0.00186  -0.00012   0.00139   2.09315
   A10        2.09750  -0.00041   0.00584  -0.00056   0.00522   2.10272
   A11        2.09823   0.00012  -0.00474  -0.00182  -0.00643   2.09180
   A12        2.08724   0.00029  -0.00120   0.00232   0.00100   2.08823
   A13        2.10918   0.00033  -0.00516  -0.00049  -0.00557   2.10360
   A14        2.05193   0.00118   0.00238   0.00946   0.01180   2.06373
   A15        2.12203  -0.00151   0.00280  -0.00898  -0.00622   2.11581
   A16        2.08155   0.00089  -0.00101   0.00487   0.00369   2.08524
   A17        2.07503   0.00113  -0.00633   0.00579  -0.00083   2.07420
   A18        2.12656  -0.00202   0.00788  -0.01060  -0.00303   2.12353
   A19        2.09816   0.00173   0.00378   0.00786   0.01161   2.10978
   A20        2.11643  -0.00212  -0.00346  -0.00944  -0.01310   2.10333
   A21        2.06796   0.00040  -0.00047   0.00187   0.00161   2.06957
   A22        2.07240  -0.00055  -0.00339   0.00039  -0.00231   2.07010
   A23        2.08854  -0.00217   0.00419  -0.00804  -0.00413   2.08441
   A24        2.11956   0.00283  -0.00120   0.01030   0.00820   2.12776
   A25        2.12904  -0.00364  -0.00381  -0.01398  -0.01926   2.10978
   A26        2.12566   0.00604   0.00788   0.02521   0.02955   2.15521
   A27        2.02846  -0.00239  -0.00388  -0.01107  -0.01092   2.01754
   A28        2.06913   0.00216   0.00438   0.01220   0.01710   2.08624
   A29        2.07468  -0.00271  -0.00403  -0.01602  -0.02126   2.05343
   A30        2.13912   0.00055  -0.00036   0.00372   0.00402   2.14314
   A31        2.11055   0.00225  -0.00316   0.00994   0.00653   2.11709
   A32        2.11555  -0.00153   0.00860  -0.00497   0.00319   2.11873
   A33        2.05634  -0.00071  -0.00409  -0.00445  -0.00898   2.04736
   A34        2.10307  -0.00282   0.00499  -0.01302  -0.00794   2.09512
   A35        2.09517  -0.00044   0.00085   0.00043   0.00119   2.09637
   A36        2.08478   0.00327  -0.00599   0.01273   0.00665   2.09143
   A37        2.08706   0.00160   0.00183   0.00856   0.01036   2.09742
   A38        2.07877   0.00116  -0.00588   0.00708   0.00079   2.07956
   A39        2.11720  -0.00275   0.00400  -0.01557  -0.01198   2.10522
   A40        2.10842   0.00080  -0.00781   0.00183  -0.00600   2.10242
   A41        2.10811  -0.00002   0.00179   0.00116   0.00230   2.11042
   A42        2.06444  -0.00078   0.00446  -0.00356   0.00027   2.06471
   A43        2.15453  -0.00113  -0.00170   0.00131  -0.00913   2.14540
   A44        2.06992   0.00153  -0.00256   0.00210  -0.00104   2.06887
   A45        1.83925   0.01372   0.09995   0.13056   0.21986   2.05911
   A46        2.03370  -0.00029  -0.01344  -0.01245  -0.03713   1.99657
   A47        1.84014  -0.00873   0.04574  -0.01404   0.01889   1.85903
   A48        2.04309   0.00257   0.00343   0.00975   0.01774   2.06084
   A49        2.12156  -0.00135  -0.00715  -0.00571  -0.01614   2.10542
   A50        2.11852  -0.00122   0.00373  -0.00408  -0.00168   2.11684
   A51        2.11644  -0.00079  -0.00403  -0.00818  -0.01186   2.10458
   A52        2.07085   0.00084   0.00034   0.00421   0.00513   2.07598
   A53        2.09486  -0.00006   0.00372   0.00446   0.00721   2.10206
   A54        2.08006   0.00132   0.00377   0.00699   0.00909   2.08915
   A55        2.07379   0.00004  -0.00504  -0.00186  -0.00608   2.06771
   A56        2.08421  -0.00000  -0.00408  -0.00119  -0.00571   2.07850
   A57        2.12223  -0.00004   0.00850   0.00300   0.01106   2.13328
   A58        2.10717   0.00132  -0.00002   0.00709   0.00705   2.11421
   A59        2.11545  -0.00231   0.00580  -0.01291  -0.00729   2.10816
   A60        2.06027   0.00099  -0.00511   0.00583   0.00053   2.06080
   A61        2.10614  -0.00198   0.00516  -0.00823  -0.00325   2.10288
   A62        2.06954   0.00184  -0.00161   0.00825   0.00673   2.07627
   A63        2.10712   0.00015  -0.00359   0.00004  -0.00346   2.10366
   A64        2.08930   0.00102  -0.00429   0.00299  -0.00120   2.08809
   A65        2.07497  -0.00102   0.00904  -0.00263   0.00607   2.08105
   A66        2.11892   0.00001  -0.00444  -0.00036  -0.00514   2.11378
   A67        2.19522  -0.00036  -0.00970  -0.00423  -0.01402   2.18120
   A68        2.20244  -0.00112   0.00673  -0.00005   0.00659   2.20903
   A69        1.88551   0.00148   0.00299   0.00427   0.00743   1.89294
   A70        2.19209   0.00015  -0.01040  -0.00242  -0.01291   2.17918
   A71        2.20548  -0.00149   0.00759  -0.00129   0.00621   2.21170
   A72        1.88561   0.00134   0.00283   0.00371   0.00668   1.89229
   A73        2.20397  -0.00091   0.00146  -0.00182  -0.00043   2.20353
   A74        2.19331  -0.00051  -0.00390  -0.00214  -0.00612   2.18719
   A75        1.88589   0.00142   0.00244   0.00397   0.00656   1.89245
   A76        1.89871   0.00002   0.00084   0.00034   0.00105   1.89976
   A77        2.24332   0.00266  -0.00906   0.00866  -0.00065   2.24267
   A78        2.13943  -0.00265   0.00960  -0.00830   0.00096   2.14039
   A79        1.87085  -0.00083  -0.00167  -0.00217  -0.00380   1.86705
   A80        2.07642   0.00167  -0.00612   0.00519  -0.00104   2.07537
   A81        2.33560  -0.00083   0.00775  -0.00299   0.00482   2.34042
   A82        1.87070  -0.00086  -0.00119  -0.00234  -0.00350   1.86721
   A83        2.33508  -0.00061   0.00548  -0.00271   0.00277   2.33785
   A84        2.07716   0.00148  -0.00439   0.00505   0.00060   2.07776
   A85        1.89884   0.00034  -0.00076   0.00050  -0.00043   1.89841
   A86        2.24812   0.00172  -0.00270   0.00794   0.00491   2.25303
   A87        2.13464  -0.00205   0.00494  -0.00775  -0.00314   2.13150
   A88        1.90025   0.00005   0.00098   0.00040   0.00124   1.90150
   A89        2.24652   0.00216  -0.00880   0.00672  -0.00239   2.24413
   A90        2.13508  -0.00219   0.00918  -0.00650   0.00231   2.13740
   A91        1.86952  -0.00085  -0.00182  -0.00236  -0.00413   1.86539
   A92        2.07709   0.00150  -0.00621   0.00436  -0.00193   2.07516
   A93        2.33635  -0.00064   0.00800  -0.00200   0.00603   2.34238
   A94        1.86959  -0.00080  -0.00109  -0.00193  -0.00298   1.86662
   A95        2.33559  -0.00057   0.00539  -0.00265   0.00275   2.33834
   A96        2.07772   0.00138  -0.00440   0.00460   0.00014   2.07786
   A97        1.89987   0.00013  -0.00105  -0.00036  -0.00156   1.89831
   A98        2.24758   0.00179  -0.00258   0.00820   0.00531   2.25289
   A99        2.13429  -0.00190   0.00500  -0.00721  -0.00253   2.13177
   A100       1.89807   0.00012  -0.00041  -0.00007  -0.00060   1.89747
   A101       2.24792   0.00192  -0.00417   0.00785   0.00342   2.25133
   A102       2.13585  -0.00202   0.00582  -0.00725  -0.00171   2.13414
   A103       1.87097  -0.00076  -0.00090  -0.00180  -0.00266   1.86831
   A104       2.07762   0.00141  -0.00466   0.00463  -0.00009   2.07753
   A105       2.33435  -0.00065   0.00550  -0.00281   0.00270   2.33705
   A106       1.86984  -0.00081  -0.00147  -0.00213  -0.00355   1.86629
   A107       2.33620  -0.00067   0.00613  -0.00280   0.00335   2.33955
   A108       2.07686   0.00149  -0.00473   0.00496   0.00016   2.07702
   A109       1.89994   0.00004   0.00033   0.00006   0.00027   1.90021
   A110       2.24678   0.00202  -0.00562   0.00752   0.00163   2.24841
   A111       2.13514  -0.00204   0.00655  -0.00703  -0.00079   2.13435
   A112       2.08069  -0.00021   0.00037  -0.00063  -0.00035   2.08034
   A113       2.09857   0.00035   0.00298   0.00328   0.00629   2.10486
   A114       2.10389  -0.00014  -0.00332  -0.00263  -0.00591   2.09798
   A115       2.10797  -0.00037   0.00304  -0.00103   0.00192   2.10989
   A116       2.09084   0.00002  -0.00195  -0.00067  -0.00259   2.08825
   A117       2.08438   0.00034  -0.00109   0.00171   0.00066   2.08504
   A118       2.11687   0.00017  -0.00324  -0.00084  -0.00412   2.11275
   A119       2.08545  -0.00002  -0.00229  -0.00078  -0.00306   2.08238
   A120       2.08086  -0.00014   0.00553   0.00165   0.00718   2.08805
   A121       2.04876   0.00097   0.00001   0.00537   0.00534   2.05410
   A122       2.11145   0.00072  -0.00443   0.00420  -0.00030   2.11115
   A123       2.12297  -0.00169   0.00453  -0.00957  -0.00512   2.11786
   A124       2.04388   0.00130  -0.00271   0.00593   0.00307   2.04696
   A125       2.11736   0.00058  -0.00445   0.00344  -0.00111   2.11625
   A126       2.12193  -0.00188   0.00738  -0.00936  -0.00209   2.11985
   A127       2.11844   0.00023  -0.00330  -0.00084  -0.00417   2.11426
   A128       2.07744   0.00000   0.00442   0.00237   0.00681   2.08425
   A129       2.08731  -0.00023  -0.00112  -0.00153  -0.00264   2.08467
   A130       2.10927  -0.00048   0.00416  -0.00139   0.00265   2.11192
   A131       2.08370   0.00039  -0.00160   0.00183   0.00025   2.08395
   A132       2.09021   0.00009  -0.00251  -0.00044  -0.00293   2.08728
   A133       2.07851  -0.00006  -0.00062  -0.00033  -0.00109   2.07742
   A134       2.09941   0.00032   0.00297   0.00325   0.00627   2.10567
   A135       2.10524  -0.00026  -0.00229  -0.00290  -0.00514   2.10009
   A136       2.08021  -0.00019   0.00032  -0.00053  -0.00031   2.07990
   A137       2.09885   0.00033   0.00301   0.00319   0.00624   2.10509
   A138       2.10408  -0.00014  -0.00330  -0.00263  -0.00590   2.09819
   A139       2.10788  -0.00035   0.00311  -0.00091   0.00212   2.11000
   A140       2.09120   0.00001  -0.00190  -0.00074  -0.00261   2.08859
   A141       2.08411   0.00034  -0.00120   0.00165   0.00047   2.08458
   A142       2.11770   0.00014  -0.00328  -0.00099  -0.00430   2.11340
   A143       2.08534  -0.00003  -0.00226  -0.00084  -0.00308   2.08226
   A144       2.08014  -0.00011   0.00554   0.00184   0.00738   2.08752
   A145       2.04828   0.00094  -0.00000   0.00522   0.00514   2.05342
   A146       2.11195   0.00070  -0.00387   0.00423   0.00027   2.11222
   A147       2.12294  -0.00164   0.00408  -0.00944  -0.00546   2.11749
   A148       2.04816   0.00101  -0.00210   0.00473   0.00255   2.05072
   A149       2.11111   0.00074  -0.00535   0.00395  -0.00144   2.10967
   A150       2.12391  -0.00174   0.00749  -0.00868  -0.00123   2.12268
   A151       2.11730   0.00023  -0.00376  -0.00088  -0.00470   2.11260
   A152       2.08008  -0.00006   0.00497   0.00209   0.00708   2.08716
   A153       2.08580  -0.00017  -0.00121  -0.00120  -0.00238   2.08342
   A154       2.10808  -0.00039   0.00418  -0.00085   0.00323   2.11131
   A155       2.08419   0.00036  -0.00167   0.00165   0.00001   2.08419
   A156       2.09091   0.00003  -0.00250  -0.00079  -0.00326   2.08765
   A157       2.08038  -0.00015  -0.00044  -0.00069  -0.00124   2.07914
   A158       2.09843   0.00038   0.00286   0.00349   0.00640   2.10483
   A159       2.10435  -0.00023  -0.00239  -0.00279  -0.00514   2.09922
   A160       2.08061  -0.00022  -0.00025  -0.00095  -0.00129   2.07932
   A161       2.09870   0.00038   0.00310   0.00348   0.00661   2.10531
   A162       2.10386  -0.00015  -0.00282  -0.00251  -0.00530   2.09856
   A163       2.10836  -0.00037   0.00351  -0.00094   0.00250   2.11085
   A164       2.09063   0.00003  -0.00224  -0.00075  -0.00296   2.08767
   A165       2.08419   0.00035  -0.00126   0.00169   0.00046   2.08465
   A166       2.11650   0.00025  -0.00336  -0.00054  -0.00395   2.11255
   A167       2.08606  -0.00013  -0.00159  -0.00109  -0.00267   2.08339
   A168       2.08063  -0.00013   0.00496   0.00163   0.00661   2.08723
   A169       2.04852   0.00090  -0.00092   0.00470   0.00372   2.05224
   A170       2.11317   0.00075  -0.00453   0.00421  -0.00034   2.11283
   A171       2.12149  -0.00165   0.00552  -0.00891  -0.00342   2.11807
   A172       2.04709   0.00099  -0.00024   0.00532   0.00502   2.05211
   A173       2.11404   0.00063  -0.00436   0.00364  -0.00077   2.11326
   A174       2.12205  -0.00162   0.00470  -0.00895  -0.00430   2.11775
   A175       2.11795   0.00017  -0.00356  -0.00101  -0.00461   2.11335
   A176       2.07928  -0.00007   0.00502   0.00196   0.00700   2.08628
   A177       2.08595  -0.00010  -0.00146  -0.00094  -0.00239   2.08356
   A178       2.10816  -0.00039   0.00318  -0.00110   0.00200   2.11016
   A179       2.08409   0.00036  -0.00122   0.00174   0.00054   2.08464
   A180       2.09093   0.00003  -0.00195  -0.00063  -0.00256   2.08837
   A181       2.07951  -0.00015   0.00010  -0.00047  -0.00046   2.07905
   A182       2.09909   0.00031   0.00260   0.00297   0.00560   2.10469
   A183       2.10456  -0.00016  -0.00267  -0.00248  -0.00512   2.09944
    D1        0.00655   0.00014   0.00684   0.00445   0.01133   0.01789
    D2       -3.13405   0.00046  -0.02430   0.00760  -0.01643   3.13271
    D3       -3.12881   0.00003   0.00249   0.00120   0.00366  -3.12516
    D4        0.01377   0.00035  -0.02865   0.00435  -0.02410  -0.01033
    D5        0.01775   0.00001  -0.00495  -0.00086  -0.00579   0.01196
    D6       -3.11388  -0.00007  -0.03050  -0.00739  -0.03780   3.13150
    D7       -3.13004   0.00011  -0.00055   0.00237   0.00184  -3.12820
    D8        0.02152   0.00004  -0.02610  -0.00416  -0.03017  -0.00865
    D9       -2.16869  -0.00070   0.09936   0.01099   0.11041  -2.05828
   D10        0.96487  -0.00072   0.10219   0.01056   0.11274   1.07760
   D11        0.97906  -0.00079   0.09498   0.00783   0.10282   1.08188
   D12       -2.17057  -0.00081   0.09780   0.00740   0.10514  -2.06543
   D13       -0.02715  -0.00027  -0.00166  -0.00559  -0.00724  -0.03440
   D14        3.09236   0.00045  -0.00671   0.01607   0.00950   3.10186
   D15        3.11341  -0.00061   0.03035  -0.00884   0.02166   3.13507
   D16       -0.05026   0.00011   0.02530   0.01281   0.03840  -0.01186
   D17        0.02401   0.00026  -0.00516   0.00324  -0.00205   0.02197
   D18       -3.09524   0.00027   0.00082   0.00636   0.00712  -3.08813
   D19       -3.09594  -0.00045  -0.00020  -0.01802  -0.01846  -3.11440
   D20        0.06799  -0.00043   0.00578  -0.01491  -0.00930   0.05869
   D21        3.08053  -0.00003   0.00503  -0.00126   0.00364   3.08417
   D22       -0.09970   0.00024   0.00012   0.00757   0.00762  -0.09208
   D23       -0.08348   0.00070  -0.00014   0.02069   0.02061  -0.06286
   D24        3.01948   0.00096  -0.00505   0.02953   0.02459   3.04407
   D25       -0.00018  -0.00014   0.00705   0.00007   0.00726   0.00707
   D26        3.13097  -0.00018   0.00928  -0.00136   0.00803   3.13900
   D27        3.11921  -0.00016   0.00108  -0.00307  -0.00199   3.11723
   D28       -0.03282  -0.00020   0.00331  -0.00450  -0.00121  -0.03403
   D29        0.02900  -0.00036   0.00401  -0.01313  -0.00912   0.01988
   D30       -3.13611  -0.00009   0.00357  -0.01710  -0.01446   3.13262
   D31       -3.09039  -0.00034   0.00988  -0.01000  -0.00008  -3.09047
   D32        0.02769  -0.00007   0.00945  -0.01397  -0.00542   0.02227
   D33       -0.02081  -0.00001  -0.00194  -0.00142  -0.00341  -0.02422
   D34        3.11051   0.00009   0.02407   0.00541   0.02955   3.14007
   D35        3.13164   0.00001  -0.00425  -0.00005  -0.00432   3.12733
   D36       -0.02022   0.00011   0.02176   0.00679   0.02865   0.00843
   D37       -0.00029  -0.00010  -0.01552   0.00209  -0.01312  -0.01341
   D38        3.06388   0.00158  -0.02154   0.04077   0.01927   3.08315
   D39       -3.10430  -0.00030  -0.01069  -0.00625  -0.01670  -3.12100
   D40       -0.04013   0.00138  -0.01671   0.03243   0.01569  -0.02444
   D41       -3.08688  -0.00101   0.01105  -0.02608  -0.01509  -3.10197
   D42        0.01238  -0.00069   0.03923  -0.01142   0.02797   0.04036
   D43        0.01672  -0.00072   0.00631  -0.01726  -0.01097   0.00576
   D44        3.11599  -0.00040   0.03449  -0.00260   0.03209  -3.13510
   D45        0.10108  -0.00115   0.02564  -0.03292  -0.00777   0.09331
   D46       -3.04695  -0.00053   0.04120  -0.00223   0.03929  -3.00766
   D47       -2.96165  -0.00263   0.03154  -0.07146  -0.04042  -3.00207
   D48        0.17350  -0.00201   0.04710  -0.04076   0.00664   0.18014
   D49        0.04290  -0.00128   0.01366  -0.03076  -0.01703   0.02587
   D50       -3.02608  -0.00115   0.04746  -0.02131   0.02617  -2.99991
   D51        3.10492   0.00029   0.00740   0.00850   0.01597   3.12088
   D52        0.03594   0.00042   0.04119   0.01795   0.05917   0.09510
   D53       -0.11609   0.00133  -0.02008   0.03827   0.01843  -0.09766
   D54        3.04993   0.00110  -0.01959   0.04267   0.02440   3.07434
   D55        3.03160   0.00072  -0.03498   0.00906  -0.02523   3.00637
   D56       -0.08556   0.00048  -0.03448   0.01346  -0.01926  -0.10482
   D57       -3.03112  -0.00269   0.03094  -0.06052  -0.03357  -3.06469
   D58       -0.13669  -0.00217  -0.08580  -0.10610  -0.20858  -0.34528
   D59       -0.92227  -0.00287   0.17579   0.04269   0.24293  -0.67934
   D60        0.10439  -0.00211   0.04565  -0.03152   0.01117   0.11556
   D61        2.99881  -0.00159  -0.07110  -0.07710  -0.16384   2.83496
   D62        2.21323  -0.00229   0.19050   0.07169   0.28767   2.50090
   D63       -3.10230   0.00051   0.01076   0.01445   0.02591  -3.07639
   D64        0.01478   0.00082   0.01037   0.01041   0.02055   0.03533
   D65        0.00503  -0.00002   0.00730  -0.00014   0.00709   0.01212
   D66        3.12687   0.00036  -0.00601   0.00796   0.00184   3.12872
   D67       -3.09563  -0.00031  -0.02047  -0.01429  -0.03454  -3.13017
   D68        0.02621   0.00007  -0.03378  -0.00619  -0.03979  -0.01358
   D69       -0.00316   0.00015  -0.01047   0.00258  -0.00786  -0.01102
   D70        3.11947   0.00049  -0.04273   0.00642  -0.03628   3.08319
   D71       -3.12512  -0.00019   0.00273  -0.00534  -0.00257  -3.12768
   D72       -0.00249   0.00015  -0.02952  -0.00149  -0.03098  -0.03347
   D73       -2.19301  -0.00145   0.08303  -0.01212   0.07095  -2.12206
   D74        0.94760  -0.00147   0.09022  -0.01114   0.07905   1.02665
   D75        0.92904  -0.00114   0.06989  -0.00439   0.06554   0.99458
   D76       -2.21353  -0.00116   0.07709  -0.00341   0.07365  -2.13989
   D77       -0.02095   0.00046   0.00002   0.01287   0.01289  -0.00806
   D78        3.04980   0.00037  -0.03300   0.00384  -0.02910   3.02070
   D79        3.14004   0.00007   0.03291   0.00868   0.04158  -3.10156
   D80       -0.07239  -0.00002  -0.00011  -0.00035  -0.00042  -0.07280
   D81       -0.05348   0.00208  -0.03251   0.02422  -0.00664  -0.06012
   D82        3.08401   0.00193  -0.03062   0.01307  -0.01657   3.06744
   D83       -2.95263   0.00133   0.08131   0.06708   0.15727  -2.79536
   D84        0.18486   0.00118   0.08320   0.05593   0.14733   0.33220
   D85       -2.16192  -0.00811  -0.20453  -0.14582  -0.35557  -2.51749
   D86        0.97557  -0.00826  -0.20264  -0.15697  -0.36550   0.61007
   D87       -0.02387  -0.00076   0.00569   0.00101   0.00709  -0.01678
   D88       -3.11657  -0.00056   0.00504  -0.01062  -0.00585  -3.12241
   D89        3.12182  -0.00062   0.00384   0.01215   0.01713   3.13895
   D90        0.02912  -0.00042   0.00319   0.00052   0.00419   0.03331
   D91       -3.14126   0.00037  -0.00116   0.00696   0.00587  -3.13539
   D92       -0.08080   0.00024  -0.00992   0.00649  -0.00306  -0.08386
   D93       -0.00395   0.00022   0.00081  -0.00464  -0.00434  -0.00828
   D94        3.05651   0.00010  -0.00795  -0.00512  -0.01327   3.04324
   D95        0.04105  -0.00061   0.00434  -0.01750  -0.01401   0.02704
   D96        3.13308  -0.00079   0.00489  -0.00572  -0.00095   3.13213
   D97       -0.02669   0.00022  -0.00483   0.00177  -0.00317  -0.02987
   D98        3.11354  -0.00011   0.01930   0.00315   0.02271   3.13625
   D99       -3.12001   0.00044  -0.00524  -0.00936  -0.01555  -3.13556
   D100       0.02022   0.00011   0.01889  -0.00798   0.01034   0.03056
   D101      -0.02351   0.00013  -0.00309   0.00630   0.00342  -0.02009
   D102       3.09121  -0.00001   0.01802   0.00643   0.02464   3.11585
   D103      -3.08212   0.00025   0.00642   0.00699   0.01349  -3.06863
   D104       0.03260   0.00012   0.02753   0.00712   0.03471   0.06731
   D105       0.02589  -0.00032   0.00146  -0.00410  -0.00249   0.02340
   D106       3.13772  -0.00004  -0.00039  -0.00152  -0.00192   3.13580
   D107      -3.08966  -0.00014  -0.01930  -0.00394  -0.02303  -3.11269
   D108       0.02217   0.00014  -0.02115  -0.00136  -0.02246  -0.00029
   D109       0.00010   0.00012   0.00264  -0.00009   0.00233   0.00243
   D110      -3.14009   0.00046  -0.02232  -0.00151  -0.02406   3.11903
   D111      -3.11108  -0.00018   0.00449  -0.00287   0.00157  -3.10951
   D112       0.03191   0.00015  -0.02047  -0.00428  -0.02482   0.00709
   D113      -2.17536  -0.00092   0.09116   0.00471   0.09594  -2.07942
   D114       0.97228  -0.00100   0.09220   0.00303   0.09532   1.06760
   D115       0.93645  -0.00068   0.08945   0.00714   0.09651   1.03296
   D116      -2.19910  -0.00076   0.09050   0.00547   0.09590  -2.10320
   D117       3.13103   0.00011  -0.00174   0.00212   0.00033   3.13136
   D118       0.04457  -0.00018  -0.02520  -0.01054  -0.03561   0.00896
   D119      -0.00374   0.00013  -0.00418   0.00250  -0.00166  -0.00540
   D120      -3.09020  -0.00015  -0.02764  -0.01016  -0.03759  -3.12779
   D121      -3.13596   0.00001   0.00140   0.00000   0.00141  -3.13454
   D122       0.06312  -0.00028  -0.02137  -0.01225  -0.03364   0.02949
   D123      -0.00122  -0.00001   0.00374  -0.00039   0.00333   0.00211
   D124      -3.08532  -0.00030  -0.01904  -0.01264  -0.03172  -3.11704
   D125      -3.14105  -0.00003  -0.00159  -0.00089  -0.00259   3.13955
   D126       0.06323  -0.00028  -0.02341  -0.01317  -0.03653   0.02669
   D127       0.00137  -0.00001  -0.00772  -0.00171  -0.00944  -0.00807
   D128      -3.07753  -0.00027  -0.02953  -0.01399  -0.04339  -3.12092
   D129       3.13509   0.00014   0.00061   0.00275   0.00329   3.13838
   D130       0.05353  -0.00016  -0.02299  -0.01002  -0.03309   0.02044
   D131      -0.00734   0.00013   0.00670   0.00358   0.01029   0.00295
   D132      -3.08890  -0.00017  -0.01690  -0.00918  -0.02609  -3.11499
   D133       3.13719   0.00004   0.00038   0.00075   0.00115   3.13833
   D134       0.05109  -0.00017  -0.02120  -0.00976  -0.03093   0.02015
   D135      -0.00957   0.00011  -0.00052   0.00217   0.00164  -0.00793
   D136      -3.09567  -0.00010  -0.02211  -0.00834  -0.03043  -3.12611
   D137      -3.14158   0.00005  -0.00077   0.00085   0.00008  -3.14150
   D138       0.05507  -0.00018  -0.02278  -0.01014  -0.03287   0.02220
   D139       0.00514  -0.00001   0.00012  -0.00056  -0.00043   0.00471
   D140      -3.08140  -0.00024  -0.02190  -0.01155  -0.03338  -3.11478
   D141       0.00493  -0.00010   0.00575  -0.00074   0.00495   0.00987
   D142      -3.11308  -0.00015   0.00734  -0.00170   0.00554  -3.10754
   D143       3.08833   0.00036   0.02493   0.01136   0.03643   3.12476
   D144      -0.02968   0.00031   0.02653   0.01041   0.03702   0.00734
   D145       3.10065   0.00021   0.00269   0.00675   0.00933   3.10999
   D146      -0.03620   0.00019  -0.01514   0.00227  -0.01289  -0.04909
   D147       0.02951  -0.00020  -0.02128  -0.00744  -0.02881   0.00070
   D148      -3.10735  -0.00022  -0.03912  -0.01191  -0.05104   3.12480
   D149      -0.00933   0.00019  -0.00159   0.00295   0.00138  -0.00795
   D150       3.10749   0.00024  -0.00729   0.00295  -0.00436   3.10313
   D151       3.10366   0.00030  -0.00381   0.00427   0.00051   3.10417
   D152      -0.06270   0.00034  -0.00951   0.00427  -0.00523  -0.06793
   D153       0.00829  -0.00016  -0.01159  -0.00514  -0.01673  -0.00844
   D154       3.14126  -0.00007  -0.00653  -0.00260  -0.00908   3.13218
   D155      -3.10207  -0.00024  -0.00925  -0.00647  -0.01576  -3.11783
   D156       0.03090  -0.00015  -0.00419  -0.00393  -0.00811   0.02279
   D157       0.01029  -0.00019  -0.00315  -0.00402  -0.00715   0.00314
   D158       3.09654   0.00023   0.01818   0.00837   0.02652   3.12305
   D159      -3.11086  -0.00020   0.00143  -0.00391  -0.00247  -3.11333
   D160      -0.02461   0.00022   0.02277   0.00848   0.03120   0.00659
   D161      -3.10636  -0.00019  -0.00353  -0.00510  -0.00860  -3.11496
   D162       0.02601  -0.00009  -0.00107  -0.00258  -0.00360   0.02241
   D163       0.00817  -0.00017  -0.00972  -0.00519  -0.01492  -0.00675
   D164       3.14054  -0.00007  -0.00726  -0.00267  -0.00992   3.13062
   D165       3.09745   0.00035   0.00770   0.00967   0.01740   3.11485
   D166      -0.04267   0.00045  -0.00681   0.00928   0.00251  -0.04016
   D167       0.02311  -0.00009  -0.01842  -0.00498  -0.02340  -0.00030
   D168      -3.11701   0.00002  -0.03294  -0.00536  -0.03829   3.12788
   D169       0.00710  -0.00020   0.00300  -0.00357  -0.00062   0.00647
   D170      -3.11492  -0.00021   0.00465  -0.00372   0.00080  -3.11412
   D171       3.09778   0.00022   0.02370   0.00860   0.03250   3.13028
   D172      -0.02424   0.00022   0.02536   0.00845   0.03392   0.00968
   D173       3.10338   0.00029   0.00477   0.00849   0.01312   3.11650
   D174      -0.04165   0.00045  -0.00902   0.00946   0.00040  -0.04125
   D175       0.02354  -0.00012  -0.02103  -0.00595  -0.02710  -0.00356
   D176      -3.12149   0.00004  -0.03481  -0.00499  -0.03983   3.12187
   D177      -0.00774   0.00019  -0.00068   0.00330   0.00265  -0.00509
   D178       3.10692   0.00030  -0.00582   0.00460  -0.00125   3.10567
   D179       3.11011   0.00024  -0.00292   0.00359   0.00074   3.11085
   D180      -0.05842   0.00034  -0.00807   0.00489  -0.00315  -0.06157
   D181       0.00779  -0.00013  -0.01041  -0.00437  -0.01479  -0.00700
   D182      -3.14079  -0.00009  -0.00680  -0.00300  -0.00975   3.13264
   D183      -3.10785  -0.00015  -0.00802  -0.00460  -0.01271  -3.12056
   D184       0.02675  -0.00011  -0.00442  -0.00323  -0.00767   0.01908
   D185       0.00555  -0.00010  -0.00188  -0.00179  -0.00366   0.00188
   D186       3.09413   0.00030   0.01872   0.01010   0.02878   3.12291
   D187      -3.11382  -0.00016   0.00223  -0.00275  -0.00051  -3.11433
   D188      -0.02524   0.00024   0.02283   0.00913   0.03193   0.00669
   D189      -3.10350  -0.00026  -0.00425  -0.00673  -0.01093  -3.11443
   D190       0.02843  -0.00013  -0.00075  -0.00324  -0.00392   0.02451
   D191       0.00865  -0.00017  -0.00983  -0.00539  -0.01523  -0.00658
   D192       3.14058  -0.00004  -0.00632  -0.00190  -0.00821   3.13236
   D193       3.10006   0.00030   0.00679   0.00860   0.01544   3.11550
   D194      -0.03486   0.00031  -0.00858   0.00557  -0.00295  -0.03781
   D195       0.02283  -0.00010  -0.01841  -0.00541  -0.02383  -0.00100
   D196      -3.11209  -0.00009  -0.03377  -0.00843  -0.04222   3.12887
   D197       0.01016  -0.00017   0.00070  -0.00290  -0.00220   0.00796
   D198      -3.11051  -0.00019   0.00309  -0.00357  -0.00050  -3.11101
   D199       3.10055   0.00017   0.02011   0.00736   0.02748   3.12803
   D200      -0.02012   0.00015   0.02250   0.00668   0.02918   0.00906
   D201       3.09740   0.00027   0.00552   0.00800   0.01353   3.11093
   D202      -0.04207   0.00040  -0.00795   0.00793   0.00001  -0.04206
   D203       0.01803  -0.00005  -0.01836  -0.00407  -0.02247  -0.00443
   D204      -3.12144   0.00008  -0.03184  -0.00414  -0.03598   3.12576
   D205      -0.00692   0.00016  -0.00063   0.00252   0.00190  -0.00502
   D206       3.10797   0.00026  -0.00394   0.00391  -0.00001   3.10796
   D207       3.10934   0.00023  -0.00369   0.00348  -0.00022   3.10912
   D208      -0.05895   0.00033  -0.00700   0.00486  -0.00213  -0.06108
   D209       0.00648  -0.00011  -0.00942  -0.00368  -0.01311  -0.00663
   D210       3.14015  -0.00005  -0.00608  -0.00200  -0.00807   3.13208
   D211      -3.10744  -0.00016  -0.00613  -0.00463  -0.01076  -3.11820
   D212       0.02624  -0.00010  -0.00279  -0.00295  -0.00572   0.02051
   D213       0.00112  -0.00008   0.00033  -0.00119  -0.00088   0.00024
   D214       3.09188   0.00028   0.02002   0.00948   0.02957   3.12145
   D215      -3.11846  -0.00013   0.00289  -0.00222   0.00062  -3.11784
   D216      -0.02770   0.00023   0.02259   0.00846   0.03107   0.00338
   D217      -3.10497  -0.00020  -0.00580  -0.00548  -0.01131  -3.11628
   D218       0.02907  -0.00014  -0.00288  -0.00376  -0.00664   0.02243
   D219       0.00745  -0.00012  -0.00936  -0.00406  -0.01343  -0.00599
   D220       3.14149  -0.00006  -0.00644  -0.00234  -0.00877   3.13273
   D221       3.10880   0.00019   0.00553   0.00616   0.01166   3.12046
   D222      -0.03267   0.00035  -0.00638   0.00742   0.00104  -0.03162
   D223       0.02887  -0.00015  -0.01878  -0.00643  -0.02526   0.00361
   D224      -3.11259   0.00002  -0.03070  -0.00517  -0.03588   3.13472
   D225       0.00846   0.00002  -0.00654  -0.00103  -0.00757   0.00089
   D226      -3.13029  -0.00017  -0.00051  -0.00427  -0.00479  -3.13507
   D227      -3.12389  -0.00008  -0.00905  -0.00359  -0.01261  -3.13650
   D228       0.02055  -0.00027  -0.00302  -0.00684  -0.00984   0.01072
   D229      -0.00981   0.00013   0.01079   0.00460   0.01539   0.00558
   D230       3.13610  -0.00015   0.00920  -0.00149   0.00774  -3.13934
   D231       3.12894   0.00032   0.00479   0.00783   0.01261   3.14155
   D232      -0.00833   0.00004   0.00320   0.00174   0.00496  -0.00337
   D233      -0.00582  -0.00011   0.00172  -0.00165   0.00006  -0.00576
   D234       3.13429  -0.00021   0.01625  -0.00125   0.01502  -3.13388
   D235       3.13146   0.00016   0.00328   0.00442   0.00771   3.13917
   D236      -0.01162   0.00006   0.01780   0.00482   0.02266   0.01105
   D237      -0.00887  -0.00007   0.00193  -0.00054   0.00131  -0.00756
   D238       3.13325   0.00008   0.00062   0.00178   0.00236   3.13561
   D239       3.12797  -0.00004   0.01964   0.00398   0.02359  -3.13163
   D240      -0.01309   0.00011   0.01833   0.00631   0.02464   0.01155
   D241      -0.01136   0.00015   0.01250   0.00531   0.01782   0.00646
   D242       3.13043   0.00026   0.00266   0.00608   0.00877   3.13921
   D243       3.12970  -0.00000   0.01382   0.00297   0.01677  -3.13671
   D244      -0.01169   0.00011   0.00399   0.00375   0.00772  -0.00397
   D245       0.01147  -0.00003  -0.00737  -0.00232  -0.00965   0.00183
   D246      -3.12146  -0.00012  -0.01249  -0.00489  -0.01733  -3.13879
   D247      -3.13033  -0.00014   0.00251  -0.00309  -0.00058  -3.13090
   D248       0.01992  -0.00023  -0.00261  -0.00567  -0.00826   0.01166
   D249       0.00899   0.00000  -0.00647  -0.00148  -0.00795   0.00105
   D250      -3.13124  -0.00013   0.00057  -0.00323  -0.00267  -3.13391
   D251      -3.12290  -0.00013  -0.01003  -0.00501  -0.01500  -3.13790
   D252       0.02005  -0.00027  -0.00299  -0.00676  -0.00972   0.01033
   D253      -0.01129   0.00015   0.01081   0.00529   0.01609   0.00479
   D254       3.13262  -0.00007   0.01015   0.00062   0.01078  -3.13978
   D255       3.12894   0.00029   0.00380   0.00703   0.01082   3.13977
   D256      -0.01032   0.00007   0.00314   0.00236   0.00551  -0.00481
   D257      -0.00451  -0.00012   0.00167  -0.00188  -0.00022  -0.00473
   D258       3.13036  -0.00012   0.01703   0.00123   0.01826  -3.13456
   D259       3.13476   0.00010   0.00231   0.00278   0.00509   3.13985
   D260      -0.01355   0.00010   0.01767   0.00588   0.02357   0.01002
   D261      -0.00708  -0.00006   0.00252  -0.00043   0.00200  -0.00508
   D262       3.13160   0.00018   0.00352   0.00473   0.00824   3.13984
   D263       3.13798  -0.00023   0.01632  -0.00143   0.01482  -3.13038
   D264      -0.00653   0.00001   0.01733   0.00373   0.02106   0.01453
   D265      -0.00852   0.00010   0.01197   0.00417   0.01616   0.00764
   D266       3.12937   0.00030   0.00425   0.00743   0.01171   3.14108
   D267       3.13599  -0.00014   0.01094  -0.00101   0.00992  -3.13727
   D268      -0.00930   0.00006   0.00323   0.00225   0.00547  -0.00383
   D269       0.00802   0.00000  -0.00776  -0.00165  -0.00936  -0.00134
   D270      -3.12656  -0.00005  -0.01141  -0.00305  -0.01443  -3.14100
   D271      -3.12985  -0.00020  -0.00001  -0.00492  -0.00491  -3.13477
   D272       0.01875  -0.00025  -0.00366  -0.00633  -0.00998   0.00877
   D273       0.01007  -0.00001  -0.00661  -0.00177  -0.00837   0.00171
   D274      -3.13049  -0.00019  -0.00033  -0.00450  -0.00482  -3.13531
   D275      -3.12395  -0.00007  -0.00957  -0.00352  -0.01307  -3.13702
   D276       0.01867  -0.00025  -0.00328  -0.00625  -0.00952   0.00915
   D277      -0.00859   0.00009   0.01030   0.00380   0.01411   0.00552
   D278       3.13310  -0.00013   0.00942  -0.00079   0.00864  -3.14144
   D279       3.13198   0.00027   0.00404   0.00652   0.01057  -3.14064
   D280      -0.00951   0.00004   0.00316   0.00193   0.00510  -0.00441
   D281      -0.01062  -0.00004   0.00245   0.00019   0.00261  -0.00801
   D282       3.13085  -0.00021   0.01435  -0.00107   0.01326  -3.13908
   D283       3.13087   0.00018   0.00332   0.00477   0.00809   3.13897
   D284      -0.01085   0.00002   0.01522   0.00351   0.01874   0.00789
   D285      -0.00286  -0.00010   0.00183  -0.00141   0.00040  -0.00246
   D286       3.13630   0.00013   0.00230   0.00333   0.00564  -3.14124
   D287       3.13661  -0.00022   0.01528  -0.00132   0.01396  -3.13262
   D288      -0.00742   0.00001   0.01576   0.00342   0.01920   0.01178
   D289      -0.01016   0.00011   0.01071   0.00416   0.01488   0.00471
   D290       3.12895   0.00029   0.00404   0.00717   0.01121   3.14016
   D291       3.13387  -0.00012   0.01022  -0.00060   0.00963  -3.13968
   D292      -0.01021   0.00006   0.00356   0.00240   0.00597  -0.00424
   D293       0.00814   0.00000  -0.00666  -0.00148  -0.00814  -0.00000
   D294      -3.12551  -0.00006  -0.01004  -0.00319  -0.01322  -3.13872
   D295      -3.13096  -0.00019   0.00003  -0.00450  -0.00447  -3.13543
   D296       0.01858  -0.00024  -0.00335  -0.00621  -0.00955   0.00903
         Item               Value     Threshold  Converged?
 Maximum Force            0.013715     0.000450     NO 
 RMS     Force            0.001430     0.000300     NO 
 Maximum Displacement     1.391581     0.001800     NO 
 RMS     Displacement     0.173041     0.001200     NO 
 Predicted change in Energy=-1.034959D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.007030    2.946484    0.184835
      2          6           0       -2.294766    1.603042   -0.012640
      3          6           0       -1.272683    0.638052   -0.051001
      4          6           0        0.057954    1.078433    0.074634
      5          6           0        0.343690    2.445407    0.260140
      6          6           0       -0.677013    3.371832    0.329760
      7          6           0       -1.559232   -0.795968   -0.209931
      8          6           0       -0.501969   -1.745915   -0.315473
      9          6           0        0.861117   -1.270218   -0.280116
     10          6           0        1.153887    0.118692   -0.026909
     11          6           0       -2.878490   -1.259627   -0.219064
     12          6           0       -3.167297   -2.618468   -0.321565
     13          6           0       -2.128213   -3.550841   -0.403361
     14          6           0       -0.811903   -3.127039   -0.395968
     15          7           0        1.934614   -2.059958   -0.521258
     16          6           0        3.221318   -1.620461   -0.399602
     17          6           0        3.432552   -0.257893   -0.075600
     18          7           0        2.385230    0.580527    0.087144
     19          6           0        4.303196   -2.507466   -0.575867
     20          6           0        5.580404   -2.019144   -0.435885
     21          6           0        5.815467   -0.645964   -0.144311
     22          6           0        4.758912    0.222710    0.031901
     23          7           0       -3.051016    3.901268    0.240350
     24          7           0       -4.506940   -3.059843   -0.312722
     25          7           0        7.145093   -0.195339   -0.003238
     26          6           0       -5.047013   -3.960622    0.614206
     27          6           0       -6.411023   -4.162895    0.312102
     28          6           0       -6.708458   -3.361476   -0.854828
     29          6           0       -5.514824   -2.693178   -1.212020
     30          6           0       -3.213012    4.962848   -0.652055
     31          6           0       -4.367872    5.692694   -0.291976
     32          6           0       -4.924609    5.048004    0.876312
     33          6           0       -4.089915    3.947135    1.176671
     34          6           0        7.708105    0.379965    1.144582
     35          6           0        9.060610    0.689250    0.879760
     36          6           0        9.325894    0.295587   -0.486311
     37          6           0        8.125489   -0.244956   -0.999240
     38          6           0       -7.852293   -3.174326   -1.638345
     39          6           0       -7.787944   -2.330514   -2.742146
     40          6           0       -6.595601   -1.670764   -3.075813
     41          6           0       -5.441539   -1.845844   -2.317216
     42          6           0       -4.419588   -4.568652    1.699566
     43          6           0       -5.194758   -5.403925    2.498767
     44          6           0       -6.555297   -5.614425    2.223524
     45          6           0       -7.169920   -5.000046    1.137773
     46          6           0       -6.021033    5.315499    1.704250
     47          6           0       -6.264768    4.487923    2.794350
     48          6           0       -5.427792    3.395846    3.071442
     49          6           0       -4.327301    3.111979    2.268374
     50          6           0       -2.427621    5.300665   -1.752159
     51          6           0       -2.821116    6.400065   -2.509251
     52          6           0       -3.970625    7.134162   -2.176558
     53          6           0       -4.745814    6.789559   -1.074259
     54          6           0       10.445113    0.375648   -1.321624
     55          6           0       10.347719   -0.085152   -2.630453
     56          6           0        9.147358   -0.623338   -3.118371
     57          6           0        8.016936   -0.706283   -2.310088
     58          6           0        7.119787    0.616948    2.385144
     59          6           0        7.917362    1.173570    3.380705
     60          6           0        9.265625    1.481073    3.141642
     61          6           0        9.842864    1.243183    1.899387
     62          1           0       -3.338099    1.326391   -0.110116
     63          1           0        1.380752    2.744108    0.355008
     64          1           0       -0.477974    4.429966    0.473756
     65          1           0       -3.717051   -0.577303   -0.147453
     66          1           0       -2.368195   -4.609288   -0.427556
     67          1           0       -0.031132   -3.876721   -0.345473
     68          1           0        1.819514   -3.119831   -0.432890
     69          1           0        4.100826   -3.561550   -0.732018
     70          1           0        6.439673   -2.673442   -0.539897
     71          1           0        4.926044    1.266253    0.274811
     72          1           0       -8.780104   -3.683347   -1.392863
     73          1           0       -8.673176   -2.175140   -3.351982
     74          1           0       -6.574693   -1.016083   -3.941961
     75          1           0       -4.518919   -1.332579   -2.566748
     76          1           0       -3.364203   -4.409232    1.902369
     77          1           0       -4.739620   -5.899981    3.350481
     78          1           0       -7.133196   -6.273860    2.864546
     79          1           0       -8.224115   -5.168645    0.936503
     80          1           0       -6.674025    6.159822    1.501981
     81          1           0       -7.117393    4.683775    3.437945
     82          1           0       -5.643168    2.765258    3.928798
     83          1           0       -3.681605    2.265115    2.475262
     84          1           0       -1.533858    4.731928   -1.995111
     85          1           0       -2.232694    6.694420   -3.373147
     86          1           0       -4.253101    7.987949   -2.785523
     87          1           0       -5.633500    7.365165   -0.827427
     88          1           0       11.378933    0.794120   -0.957040
     89          1           0       11.213533   -0.032127   -3.283919
     90          1           0        9.099897   -0.975609   -4.144314
     91          1           0        7.086062   -1.123930   -2.681656
     92          1           0        6.074153    0.385080    2.563069
     93          1           0        7.491420    1.371269    4.359642
     94          1           0        9.863160    1.916012    3.937393
     95          1           0       10.888180    1.482566    1.726086
     96         17           0        1.887096   -4.848955    0.538740
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462976           0.0187794           0.0149092
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7853.7922966975 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999994    0.002154   -0.001445    0.002158 Ang=   0.39 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.57580422     A.U. after   14 cycles
            NFock= 14  Conv=0.62D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001502115    0.001485497    0.001235551
      2        6          -0.003134777   -0.001519639    0.003355198
      3        6          -0.003128194   -0.001785621   -0.000485813
      4        6           0.004016000    0.001624815    0.000346449
      5        6           0.000254821   -0.000708801    0.000413046
      6        6           0.001039123    0.002876233   -0.002356276
      7        6          -0.000945656    0.003496091   -0.000191099
      8        6           0.001288129   -0.004734948    0.001570613
      9        6           0.009246808    0.005642013   -0.005987379
     10        6          -0.005476939    0.001873971   -0.001879379
     11        6          -0.002666779   -0.001799074   -0.004250726
     12        6          -0.003406354    0.000892531   -0.001775251
     13        6           0.004100225   -0.002650405    0.003681969
     14        6          -0.004730562    0.003067230    0.002407732
     15        7          -0.012296083   -0.002420362    0.013027112
     16        6          -0.001356680   -0.005989604   -0.002829717
     17        6          -0.000366865    0.003827620   -0.001689296
     18        7           0.004495774    0.002580188    0.000356907
     19        6           0.002292373   -0.001802116    0.001633332
     20        6           0.000997165   -0.000334123   -0.003139381
     21        6           0.000620448    0.000954831    0.001110076
     22        6          -0.000247970    0.001335563    0.003520392
     23        7           0.000598565   -0.001939873    0.000341157
     24        7           0.000713407    0.000465620    0.000212504
     25        7          -0.000636945    0.000418203    0.000064643
     26        6           0.003612869    0.001037939   -0.001487211
     27        6          -0.002725450   -0.001626467    0.002676075
     28        6          -0.001872419   -0.001548228   -0.002518033
     29        6           0.000790282    0.003346306    0.000830154
     30        6           0.002723146   -0.000173780    0.000705506
     31        6          -0.002472967    0.001376194   -0.002662455
     32        6          -0.002318105    0.001652276    0.002598929
     33        6           0.001617594   -0.002838584   -0.000604779
     34        6          -0.003366409   -0.000310892   -0.001353333
     35        6           0.002835451    0.000672817    0.002738950
     36        6           0.002007045    0.002256783   -0.001976081
     37        6          -0.000759796   -0.002916895   -0.000011424
     38        6          -0.001084194   -0.000789794    0.000675286
     39        6          -0.002345269   -0.000045561   -0.000812320
     40        6          -0.000078216    0.000202702   -0.000566768
     41        6           0.000716348    0.002196363   -0.000212869
     42        6           0.001989543   -0.001194899    0.001610217
     43        6           0.000194058   -0.000242841    0.000748660
     44        6          -0.000861559   -0.002224448    0.000995924
     45        6          -0.000886714   -0.000624588   -0.000864971
     46        6          -0.001016826    0.000710349   -0.000869378
     47        6          -0.002364482   -0.000226910    0.000892571
     48        6          -0.000202713   -0.000173712    0.000560515
     49        6           0.000928033   -0.002024388    0.000175202
     50        6           0.002961010    0.000824384   -0.001499409
     51        6           0.000059118    0.000273406   -0.000660642
     52        6          -0.001081612    0.002161106   -0.000843654
     53        6          -0.001122537    0.000707862    0.000568811
     54        6           0.001134138    0.000513758    0.000741590
     55        6           0.002391584    0.000363478   -0.000889207
     56        6          -0.000046839   -0.000039860   -0.000602624
     57        6          -0.000865055   -0.002088409   -0.001637908
     58        6          -0.002776732   -0.000121785    0.001177674
     59        6          -0.000054085    0.000051366    0.000611655
     60        6           0.000967609    0.001782646    0.001559802
     61        6           0.001028256    0.000806601   -0.000658706
     62        1           0.001330542    0.000331026   -0.001252932
     63        1          -0.000502735    0.000052835    0.000117514
     64        1           0.001395574   -0.001281198    0.001022218
     65        1           0.001559352    0.000015042    0.001623699
     66        1           0.001628084    0.001020975   -0.001706856
     67        1           0.004034445   -0.000888862   -0.003359192
     68        1           0.003488824   -0.008407270    0.003056999
     69        1          -0.000117754   -0.000393715   -0.000766828
     70        1          -0.000828528   -0.001000329    0.000544042
     71        1          -0.000882142   -0.000420994   -0.001289996
     72        1           0.000340033   -0.000000041    0.000380967
     73        1           0.000383472   -0.000137308    0.000093482
     74        1           0.000625729    0.000221469    0.000260944
     75        1           0.000045501   -0.000585249   -0.001227285
     76        1          -0.001930871   -0.000475949    0.001085873
     77        1           0.000244966    0.000168646   -0.000087713
     78        1           0.000036434    0.000456952   -0.000013844
     79        1           0.000171862    0.000258197   -0.000231160
     80        1           0.000329352    0.000052752   -0.000371165
     81        1           0.000351585    0.000188993   -0.000040485
     82        1           0.000591101   -0.000225121   -0.000211426
     83        1           0.000052248    0.000435556    0.000955609
     84        1          -0.001878023    0.000390545   -0.001250654
     85        1           0.000325804   -0.000241050    0.000162755
     86        1           0.000029811   -0.000374351    0.000033986
     87        1           0.000136730   -0.000227541    0.000218811
     88        1          -0.000291238   -0.000083945    0.000313406
     89        1          -0.000338198    0.000087470    0.000097883
     90        1          -0.000464096   -0.000279169    0.000125408
     91        1           0.000539360    0.001099305   -0.000763563
     92        1           0.001162969   -0.000231963    0.000876929
     93        1          -0.000394955   -0.000253759   -0.000224322
     94        1          -0.000015239   -0.000330525   -0.000154585
     95        1          -0.000121836   -0.000169852   -0.000346499
     96       17           0.001540816    0.004648295   -0.005500133
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.013027112 RMS     0.002180530

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.009098161 RMS     0.001387703
 Search for a local minimum.
 Step number   8 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    7    8
 DE= -1.26D-02 DEPred=-1.03D-02 R= 1.22D+00
 TightC=F SS=  1.41D+00  RLast= 1.09D+00 DXNew= 4.0363D+00 3.2636D+00
 Trust test= 1.22D+00 RLast= 1.09D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00433   0.02431   0.02706   0.02711   0.02724
     Eigenvalues ---    0.02732   0.02739   0.02745   0.02749   0.02754
     Eigenvalues ---    0.02769   0.02771   0.02778   0.02783   0.02788
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02796
     Eigenvalues ---    0.02802   0.02814   0.02816   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02819   0.02828   0.02833
     Eigenvalues ---    0.02838   0.02839   0.02843   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02847   0.02847   0.02857   0.02857
     Eigenvalues ---    0.02862   0.02864   0.02866   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02871   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02883   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02893   0.02895   0.02895   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02904   0.02908
     Eigenvalues ---    0.02909   0.02921   0.02939   0.02941   0.02963
     Eigenvalues ---    0.02972   0.02997   0.03021   0.03026   0.03124
     Eigenvalues ---    0.03127   0.03133   0.03134   0.03137   0.03179
     Eigenvalues ---    0.03258   0.03538   0.03739   0.04202   0.13745
     Eigenvalues ---    0.15174   0.15886   0.15926   0.15987   0.15996
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16018   0.16064   0.16143   0.18397   0.21838
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22000   0.22003
     Eigenvalues ---    0.22188   0.22422   0.22436   0.22521   0.22602
     Eigenvalues ---    0.22603   0.22603   0.22606   0.22684   0.22724
     Eigenvalues ---    0.23492   0.23513   0.23793   0.24050   0.24491
     Eigenvalues ---    0.24492   0.24519   0.24527   0.24537   0.24612
     Eigenvalues ---    0.24639   0.24677   0.24886   0.24940   0.24970
     Eigenvalues ---    0.24975   0.24976   0.24982   0.24989   0.24990
     Eigenvalues ---    0.24991   0.24993   0.24998   0.24999   0.25002
     Eigenvalues ---    0.25111   0.25502   0.26872   0.29390   0.31542
     Eigenvalues ---    0.33228   0.33242   0.33248   0.33253   0.33255
     Eigenvalues ---    0.33256   0.33286   0.33326   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33458   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33662
     Eigenvalues ---    0.33735   0.33844   0.33863   0.33881   0.33889
     Eigenvalues ---    0.33903   0.33907   0.33937   0.33953   0.34179
     Eigenvalues ---    0.34395   0.34780   0.36175   0.44414   0.44435
     Eigenvalues ---    0.45081   0.45321   0.47041   0.48234   0.48905
     Eigenvalues ---    0.48953   0.48958   0.49657   0.49742   0.50170
     Eigenvalues ---    0.50342   0.50368   0.50411   0.50600   0.50614
     Eigenvalues ---    0.50668   0.50878   0.52575   0.52981   0.53894
     Eigenvalues ---    0.54063   0.54081   0.54183   0.54188   0.54201
     Eigenvalues ---    0.54590   0.54825   0.54905   0.55052   0.55478
     Eigenvalues ---    0.55586   0.55624   0.55720   0.55899   0.55934
     Eigenvalues ---    0.56068   0.56124   0.56132   0.56145   0.56279
     Eigenvalues ---    0.56427   0.56664   0.56665   0.56666   0.56678
     Eigenvalues ---    0.56680   0.56700   0.56707   0.56771   0.56864
     Eigenvalues ---    0.56903   0.56911   0.57119   0.57161   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57179   0.60324   0.60827
     Eigenvalues ---    0.64000   0.65963   0.66041   0.67342   0.67625
     Eigenvalues ---    0.67828   0.68382   0.69779   0.69929   0.70306
     Eigenvalues ---    0.74068   0.76425
 RFO step:  Lambda=-6.85829789D-03 EMin= 4.33217579D-03
 Quartic linear search produced a step of  0.21531.
 Iteration  1 RMS(Cart)=  0.07733228 RMS(Int)=  0.00957288
 Iteration  2 RMS(Cart)=  0.00567257 RMS(Int)=  0.00270434
 Iteration  3 RMS(Cart)=  0.00026522 RMS(Int)=  0.00266825
 Iteration  4 RMS(Cart)=  0.00000614 RMS(Int)=  0.00266825
 Iteration  5 RMS(Cart)=  0.00000067 RMS(Int)=  0.00266825
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.62299   0.00245  -0.00108   0.00366   0.00257   2.62556
    R2        2.65294   0.00332  -0.00085   0.00436   0.00351   2.65645
    R3        2.67555   0.00168  -0.00063  -0.00082  -0.00145   2.67410
    R4        2.65729   0.00208  -0.00024   0.00253   0.00230   2.65959
    R5        2.04805  -0.00117   0.00080  -0.00234  -0.00154   2.04651
    R6        2.65929   0.00549  -0.00168   0.00943   0.00753   2.66682
    R7        2.77975   0.00187  -0.00361  -0.00329  -0.00715   2.77260
    R8        2.66222   0.00011   0.00003  -0.00067  -0.00063   2.66158
    R9        2.75957   0.00201  -0.00107   0.00074  -0.00033   2.75925
   R10        2.60820   0.00129   0.00028   0.00248   0.00275   2.61095
   R11        2.04730  -0.00040  -0.00028  -0.00160  -0.00188   2.04542
   R12        2.05277  -0.00121   0.00052  -0.00257  -0.00205   2.05072
   R13        2.69333   0.00228   0.00089   0.00270   0.00361   2.69695
   R14        2.64258   0.00332  -0.00114   0.00423   0.00304   2.64562
   R15        2.72903   0.00090   0.00227  -0.00004   0.00247   2.73150
   R16        2.67918  -0.00235   0.00122  -0.00415  -0.00284   2.67634
   R17        2.72468   0.00241   0.00290   0.00439   0.00757   2.73225
   R18        2.55933  -0.00397   0.00218  -0.00726  -0.00404   2.55529
   R19        2.49451   0.00524  -0.00198   0.00505   0.00198   2.49649
   R20        2.63233   0.00196  -0.00021   0.00467   0.00438   2.63671
   R21        2.04744  -0.00134   0.00070  -0.00298  -0.00227   2.04516
   R22        2.64272   0.00524  -0.00229   0.00693   0.00460   2.64732
   R23        2.66547   0.00220  -0.00049   0.00016  -0.00033   2.66514
   R24        2.61325  -0.00072   0.00160   0.00019   0.00184   2.61509
   R25        2.05145  -0.00097   0.00059  -0.00185  -0.00126   2.05019
   R26        2.04770   0.00365   0.00048   0.01062   0.01109   2.05879
   R27        2.57971  -0.00015  -0.00021  -0.00204  -0.00115   2.57856
   R28        2.02155   0.00385   0.02034   0.05215   0.10640   2.12795
   R29        5.63898  -0.00030   0.01533  -0.06037  -0.07964   5.55933
   R30        2.67661   0.00521  -0.00159   0.00768   0.00628   2.68289
   R31        2.66465   0.00251   0.00125   0.00520   0.00663   2.67128
   R32        2.55380   0.00158  -0.00284  -0.00171  -0.00567   2.54813
   R33        2.67366   0.00127  -0.00048   0.00065   0.00020   2.67385
   R34        2.59747   0.00107   0.00004   0.00161   0.00160   2.59907
   R35        2.04966   0.00049  -0.00014   0.00147   0.00133   2.05099
   R36        2.68972   0.00320  -0.00106   0.00359   0.00231   2.69203
   R37        2.05039  -0.00038   0.00026  -0.00105  -0.00079   2.04960
   R38        2.60615   0.00255  -0.00036   0.00467   0.00413   2.61028
   R39        2.66637   0.00223  -0.00102  -0.00041  -0.00143   2.66494
   R40        2.04922  -0.00062   0.00029  -0.00160  -0.00130   2.04791
   R41        2.63858   0.00508  -0.00545  -0.00138  -0.00682   2.63175
   R42        2.64434   0.00193  -0.00458  -0.00362  -0.00818   2.63616
   R43        2.64715   0.00463  -0.00512  -0.00185  -0.00696   2.64020
   R44        2.64495   0.00246  -0.00481  -0.00319  -0.00799   2.63696
   R45        2.64929   0.00234  -0.00447  -0.00374  -0.00820   2.64109
   R46        2.64268   0.00356  -0.00470  -0.00209  -0.00678   2.63590
   R47        2.66760   0.00425  -0.00058   0.00631   0.00573   2.67333
   R48        2.63301   0.00364  -0.00058   0.00543   0.00487   2.63788
   R49        2.73356   0.00197  -0.00158  -0.00011  -0.00170   2.73186
   R50        2.64459   0.00082   0.00001   0.00071   0.00072   2.64531
   R51        2.67179   0.00304  -0.00013   0.00477   0.00465   2.67644
   R52        2.64378   0.00064  -0.00003   0.00051   0.00048   2.64426
   R53        2.63534   0.00206  -0.00008   0.00411   0.00404   2.63938
   R54        2.66982   0.00411  -0.00065   0.00597   0.00533   2.67515
   R55        2.63289   0.00370  -0.00068   0.00547   0.00480   2.63769
   R56        2.73226   0.00227  -0.00147   0.00054  -0.00094   2.73132
   R57        2.64421   0.00104  -0.00006   0.00098   0.00092   2.64513
   R58        2.67170   0.00337  -0.00019   0.00522   0.00503   2.67674
   R59        2.64506   0.00061   0.00003   0.00051   0.00053   2.64560
   R60        2.63591   0.00183  -0.00014   0.00367   0.00354   2.63945
   R61        2.66917   0.00378  -0.00048   0.00558   0.00510   2.67427
   R62        2.63295   0.00275  -0.00046   0.00447   0.00402   2.63696
   R63        2.73292   0.00230  -0.00153   0.00061  -0.00093   2.73200
   R64        2.64454   0.00075  -0.00004   0.00056   0.00052   2.64505
   R65        2.66997   0.00361  -0.00049   0.00538   0.00490   2.67487
   R66        2.64346   0.00086  -0.00007   0.00079   0.00072   2.64418
   R67        2.63407   0.00275  -0.00038   0.00455   0.00418   2.63825
   R68        2.62838   0.00106  -0.00021   0.00106   0.00084   2.62921
   R69        2.05294  -0.00017  -0.00010  -0.00073  -0.00083   2.05211
   R70        2.65120   0.00183   0.00008   0.00270   0.00278   2.65398
   R71        2.05249  -0.00036   0.00012  -0.00088  -0.00076   2.05173
   R72        2.63071   0.00112  -0.00071   0.00076   0.00006   2.63077
   R73        2.05212  -0.00014  -0.00027  -0.00095  -0.00122   2.05090
   R74        2.05010  -0.00010   0.00018  -0.00079  -0.00061   2.04949
   R75        2.63025   0.00150  -0.00072   0.00119   0.00047   2.63071
   R76        2.05310  -0.00168   0.00058  -0.00345  -0.00286   2.05024
   R77        2.65312   0.00107   0.00020   0.00163   0.00182   2.65494
   R78        2.05158  -0.00001  -0.00025  -0.00053  -0.00078   2.05080
   R79        2.62806   0.00079  -0.00016   0.00083   0.00065   2.62872
   R80        2.05253  -0.00035   0.00011  -0.00089  -0.00077   2.05176
   R81        2.05300  -0.00020  -0.00011  -0.00081  -0.00092   2.05208
   R82        2.62706   0.00129  -0.00025   0.00146   0.00120   2.62826
   R83        2.05293  -0.00014  -0.00012  -0.00065  -0.00077   2.05217
   R84        2.65232   0.00186   0.00010   0.00274   0.00283   2.65515
   R85        2.05237  -0.00031   0.00012  -0.00075  -0.00064   2.05173
   R86        2.62976   0.00129  -0.00071   0.00108   0.00038   2.63014
   R87        2.05198  -0.00008  -0.00027  -0.00079  -0.00106   2.05092
   R88        2.05007  -0.00002   0.00018  -0.00058  -0.00040   2.04967
   R89        2.62985   0.00157  -0.00074   0.00128   0.00054   2.63039
   R90        2.05390  -0.00163   0.00082  -0.00305  -0.00223   2.05167
   R91        2.65300   0.00141   0.00021   0.00220   0.00240   2.65540
   R92        2.05207  -0.00006  -0.00027  -0.00071  -0.00098   2.05110
   R93        2.62851   0.00076  -0.00007   0.00087   0.00079   2.62930
   R94        2.05241  -0.00030   0.00010  -0.00075  -0.00065   2.05176
   R95        2.05297  -0.00016  -0.00011  -0.00070  -0.00081   2.05216
   R96        2.62859   0.00103  -0.00018   0.00112   0.00094   2.62953
   R97        2.05282  -0.00015  -0.00012  -0.00068  -0.00079   2.05203
   R98        2.65140   0.00180   0.00007   0.00264   0.00270   2.65410
   R99        2.05230  -0.00030   0.00010  -0.00075  -0.00065   2.05165
   R100       2.63076   0.00128  -0.00072   0.00088   0.00016   2.63092
   R101       2.05182  -0.00006  -0.00028  -0.00070  -0.00098   2.05084
   R102       2.05191  -0.00074   0.00046  -0.00163  -0.00117   2.05074
   R103       2.63011   0.00142  -0.00071   0.00114   0.00044   2.63055
   R104       2.05170  -0.00082   0.00059  -0.00163  -0.00104   2.05065
   R105       2.65203   0.00171   0.00008   0.00253   0.00261   2.65464
   R106       2.05175  -0.00004  -0.00027  -0.00064  -0.00091   2.05084
   R107       2.62733   0.00121  -0.00019   0.00146   0.00126   2.62859
   R108       2.05228  -0.00029   0.00010  -0.00073  -0.00063   2.05165
   R109       2.05279  -0.00014  -0.00012  -0.00065  -0.00077   2.05202
   R110       3.75029  -0.00572  -0.13464  -0.18820  -0.28812   3.46217
    A1        2.09940  -0.00106  -0.00100  -0.00853  -0.00953   2.08987
    A2        2.10067  -0.00174   0.00151  -0.00076   0.00074   2.10141
    A3        2.08312   0.00280  -0.00051   0.00929   0.00878   2.09190
    A4        2.11462   0.00043   0.00134   0.00681   0.00812   2.12274
    A5        2.04814   0.00026  -0.00191  -0.00077  -0.00274   2.04540
    A6        2.12010  -0.00067   0.00049  -0.00554  -0.00512   2.11498
    A7        2.06020   0.00006  -0.00109  -0.00107  -0.00210   2.05810
    A8        2.12983   0.00062   0.00084   0.00170   0.00256   2.13238
    A9        2.09315  -0.00067   0.00030  -0.00058  -0.00047   2.09268
   A10        2.10272  -0.00120   0.00112  -0.00486  -0.00377   2.09896
   A11        2.09180   0.00048  -0.00138   0.00147   0.00014   2.09194
   A12        2.08823   0.00073   0.00021   0.00349   0.00367   2.09190
   A13        2.10360   0.00129  -0.00120   0.00392   0.00274   2.10634
   A14        2.06373  -0.00034   0.00254   0.00459   0.00712   2.07085
   A15        2.11581  -0.00096  -0.00134  -0.00851  -0.00986   2.10595
   A16        2.08524   0.00048   0.00079   0.00379   0.00455   2.08979
   A17        2.07420   0.00121  -0.00018   0.00944   0.00923   2.08342
   A18        2.12353  -0.00168  -0.00065  -0.01298  -0.01368   2.10986
   A19        2.10978  -0.00062   0.00250  -0.00107   0.00142   2.11119
   A20        2.10333   0.00251  -0.00282   0.00971   0.00681   2.11015
   A21        2.06957  -0.00189   0.00035  -0.00863  -0.00820   2.06138
   A22        2.07010   0.00133  -0.00050   0.00423   0.00405   2.07415
   A23        2.08441   0.00125  -0.00089   0.00351   0.00251   2.08692
   A24        2.12776  -0.00254   0.00177  -0.00720  -0.00593   2.12183
   A25        2.10978   0.00027  -0.00415  -0.00102  -0.00589   2.10389
   A26        2.15521  -0.00497   0.00636  -0.01390  -0.00916   2.14605
   A27        2.01754   0.00471  -0.00235   0.01537   0.01515   2.03269
   A28        2.08624  -0.00068   0.00368  -0.00091   0.00297   2.08921
   A29        2.05343   0.00360  -0.00458   0.01269   0.00748   2.06090
   A30        2.14314  -0.00290   0.00087  -0.01153  -0.01027   2.13287
   A31        2.11709   0.00107   0.00141   0.01010   0.01144   2.12853
   A32        2.11873  -0.00135   0.00069  -0.00929  -0.00866   2.11007
   A33        2.04736   0.00028  -0.00193  -0.00080  -0.00278   2.04458
   A34        2.09512  -0.00161  -0.00171  -0.00886  -0.01056   2.08456
   A35        2.09637  -0.00140   0.00026  -0.00159  -0.00135   2.09502
   A36        2.09143   0.00302   0.00143   0.01062   0.01203   2.10346
   A37        2.09742  -0.00044   0.00223   0.00060   0.00289   2.10031
   A38        2.07956   0.00194   0.00017   0.01336   0.01334   2.09290
   A39        2.10522  -0.00144  -0.00258  -0.01271  -0.01549   2.08974
   A40        2.10242   0.00164  -0.00129   0.00337   0.00199   2.10442
   A41        2.11042  -0.00178   0.00050  -0.00374  -0.00376   2.10666
   A42        2.06471   0.00035   0.00006   0.00583   0.00539   2.07010
   A43        2.14540  -0.00124  -0.00197  -0.00565  -0.01215   2.13325
   A44        2.06887   0.00267  -0.00022   0.02598   0.03122   2.10010
   A45        2.05911   0.00910   0.04734   0.08454   0.12115   2.18026
   A46        1.99657  -0.00086  -0.00799  -0.01037  -0.02293   1.97364
   A47        1.85903  -0.00490   0.00407  -0.00008  -0.00404   1.85499
   A48        2.06084   0.00028   0.00382   0.00075   0.00692   2.06776
   A49        2.10542   0.00050  -0.00348   0.00209  -0.00306   2.10235
   A50        2.11684  -0.00078  -0.00036  -0.00274  -0.00381   2.11304
   A51        2.10458   0.00044  -0.00255   0.00168  -0.00070   2.10388
   A52        2.07598   0.00010   0.00110   0.00082   0.00220   2.07818
   A53        2.10206  -0.00054   0.00155  -0.00235  -0.00127   2.10080
   A54        2.08915  -0.00112   0.00196   0.00252   0.00357   2.09272
   A55        2.06771   0.00010  -0.00131  -0.00110  -0.00200   2.06572
   A56        2.07850  -0.00019  -0.00123  -0.00078  -0.00222   2.07628
   A57        2.13328   0.00011   0.00238   0.00258   0.00475   2.13803
   A58        2.11421   0.00087   0.00152   0.00587   0.00739   2.12161
   A59        2.10816  -0.00159  -0.00157  -0.01370  -0.01530   2.09286
   A60        2.06080   0.00072   0.00011   0.00778   0.00786   2.06866
   A61        2.10288  -0.00064  -0.00070  -0.00617  -0.00700   2.09588
   A62        2.07627   0.00035   0.00145   0.00525   0.00675   2.08302
   A63        2.10366   0.00030  -0.00075   0.00110   0.00041   2.10407
   A64        2.08809   0.00037  -0.00026   0.00372   0.00353   2.09163
   A65        2.08105  -0.00113   0.00131  -0.00713  -0.00592   2.07513
   A66        2.11378   0.00077  -0.00111   0.00380   0.00258   2.11636
   A67        2.18120   0.00292  -0.00302   0.00302  -0.00001   2.18119
   A68        2.20903  -0.00266   0.00142  -0.00487  -0.00347   2.20556
   A69        1.89294  -0.00026   0.00160   0.00185   0.00348   1.89642
   A70        2.17918   0.00380  -0.00278   0.00617   0.00337   2.18255
   A71        2.21170  -0.00345   0.00134  -0.00777  -0.00645   2.20525
   A72        1.89229  -0.00035   0.00144   0.00162   0.00309   1.89538
   A73        2.20353  -0.00056  -0.00009  -0.00273  -0.00284   2.20069
   A74        2.18719   0.00063  -0.00132   0.00074  -0.00059   2.18660
   A75        1.89245  -0.00008   0.00141   0.00200   0.00344   1.89589
   A76        1.89976  -0.00058   0.00023  -0.00040  -0.00021   1.89956
   A77        2.24267   0.00384  -0.00014   0.01369   0.01350   2.25616
   A78        2.14039  -0.00326   0.00021  -0.01330  -0.01314   2.12725
   A79        1.86705   0.00018  -0.00082  -0.00089  -0.00170   1.86535
   A80        2.07537   0.00156  -0.00022   0.00807   0.00784   2.08321
   A81        2.34042  -0.00174   0.00104  -0.00708  -0.00605   2.33437
   A82        1.86721   0.00026  -0.00075  -0.00094  -0.00168   1.86552
   A83        2.33785  -0.00116   0.00060  -0.00552  -0.00494   2.33291
   A84        2.07776   0.00090   0.00013   0.00658   0.00671   2.08447
   A85        1.89841   0.00050  -0.00009   0.00066   0.00053   1.89895
   A86        2.25303   0.00066   0.00106   0.00784   0.00883   2.26187
   A87        2.13150  -0.00116  -0.00068  -0.00854  -0.00927   2.12223
   A88        1.90150  -0.00059   0.00027  -0.00036  -0.00012   1.90137
   A89        2.24413   0.00324  -0.00052   0.01106   0.01048   2.25460
   A90        2.13740  -0.00265   0.00050  -0.01070  -0.01025   2.12715
   A91        1.86539   0.00010  -0.00089  -0.00104  -0.00193   1.86346
   A92        2.07516   0.00140  -0.00042   0.00726   0.00684   2.08200
   A93        2.34238  -0.00150   0.00130  -0.00614  -0.00485   2.33753
   A94        1.86662   0.00023  -0.00064  -0.00091  -0.00154   1.86508
   A95        2.33834  -0.00099   0.00059  -0.00493  -0.00435   2.33399
   A96        2.07786   0.00076   0.00003   0.00598   0.00600   2.08386
   A97        1.89831   0.00052  -0.00034   0.00049   0.00013   1.89844
   A98        2.25289   0.00049   0.00114   0.00742   0.00850   2.26139
   A99        2.13177  -0.00101  -0.00054  -0.00793  -0.00852   2.12325
   A100       1.89747   0.00014  -0.00013   0.00032   0.00017   1.89764
   A101       2.25133   0.00143   0.00074   0.00825   0.00893   2.26027
   A102       2.13414  -0.00157  -0.00037  -0.00860  -0.00900   2.12514
   A103       1.86831   0.00002  -0.00057  -0.00115  -0.00172   1.86659
   A104       2.07753   0.00094  -0.00002   0.00617   0.00615   2.08367
   A105       2.33705  -0.00095   0.00058  -0.00492  -0.00435   2.33271
   A106       1.86629   0.00007  -0.00076  -0.00097  -0.00173   1.86456
   A107       2.33955  -0.00107   0.00072  -0.00539  -0.00468   2.33487
   A108       2.07702   0.00101   0.00003   0.00648   0.00651   2.08354
   A109       1.90021  -0.00015   0.00006  -0.00017  -0.00013   1.90008
   A110       2.24841   0.00177   0.00035   0.00887   0.00917   2.25758
   A111       2.13435  -0.00162  -0.00017  -0.00873  -0.00894   2.12541
   A112       2.08034   0.00001  -0.00008  -0.00060  -0.00069   2.07965
   A113       2.10486  -0.00050   0.00135  -0.00049   0.00087   2.10573
   A114       2.09798   0.00048  -0.00127   0.00110  -0.00017   2.09780
   A115       2.10989  -0.00052   0.00041  -0.00312  -0.00273   2.10715
   A116       2.08825   0.00026  -0.00056   0.00102   0.00046   2.08871
   A117       2.08504   0.00027   0.00014   0.00215   0.00229   2.08732
   A118       2.11275   0.00094  -0.00089   0.00283   0.00194   2.11468
   A119       2.08238   0.00025  -0.00066   0.00130   0.00063   2.08302
   A120       2.08805  -0.00119   0.00155  -0.00414  -0.00260   2.08545
   A121       2.05410  -0.00017   0.00115   0.00289   0.00404   2.05814
   A122       2.11115   0.00089  -0.00006   0.00680   0.00671   2.11786
   A123       2.11786  -0.00071  -0.00110  -0.00955  -0.01068   2.10718
   A124       2.04696   0.00092   0.00066   0.00647   0.00712   2.05408
   A125       2.11625   0.00062  -0.00024   0.00492   0.00465   2.12090
   A126       2.11985  -0.00154  -0.00045  -0.01124  -0.01171   2.10814
   A127       2.11426   0.00098  -0.00090   0.00228   0.00137   2.11563
   A128       2.08425  -0.00080   0.00147  -0.00181  -0.00034   2.08391
   A129       2.08467  -0.00017  -0.00057  -0.00047  -0.00104   2.08363
   A130       2.11192  -0.00072   0.00057  -0.00429  -0.00375   2.10817
   A131       2.08395   0.00033   0.00005   0.00254   0.00260   2.08655
   A132       2.08728   0.00039  -0.00063   0.00181   0.00118   2.08847
   A133       2.07742   0.00052  -0.00024   0.00082   0.00056   2.07798
   A134       2.10567  -0.00060   0.00135  -0.00064   0.00072   2.10639
   A135       2.10009   0.00008  -0.00111  -0.00018  -0.00128   2.09882
   A136       2.07990   0.00004  -0.00007  -0.00042  -0.00050   2.07940
   A137       2.10509  -0.00051   0.00134  -0.00059   0.00076   2.10585
   A138       2.09819   0.00047  -0.00127   0.00101  -0.00025   2.09793
   A139       2.11000  -0.00051   0.00046  -0.00301  -0.00258   2.10742
   A140       2.08859   0.00024  -0.00056   0.00090   0.00034   2.08893
   A141       2.08458   0.00027   0.00010   0.00215   0.00225   2.08683
   A142       2.11340   0.00091  -0.00093   0.00263   0.00170   2.11510
   A143       2.08226   0.00022  -0.00066   0.00112   0.00046   2.08272
   A144       2.08752  -0.00113   0.00159  -0.00376  -0.00217   2.08535
   A145       2.05342  -0.00019   0.00111   0.00278   0.00389   2.05731
   A146       2.11222   0.00067   0.00006   0.00573   0.00577   2.11798
   A147       2.11749  -0.00048  -0.00117  -0.00842  -0.00962   2.10787
   A148       2.05072   0.00036   0.00055   0.00408   0.00463   2.05535
   A149       2.10967   0.00097  -0.00031   0.00660   0.00628   2.11595
   A150       2.12268  -0.00133  -0.00026  -0.01054  -0.01082   2.11186
   A151       2.11260   0.00115  -0.00101   0.00299   0.00197   2.11457
   A152       2.08716  -0.00101   0.00152  -0.00296  -0.00143   2.08573
   A153       2.08342  -0.00013  -0.00051  -0.00004  -0.00056   2.08286
   A154       2.11131  -0.00061   0.00069  -0.00362  -0.00295   2.10836
   A155       2.08419   0.00031   0.00000   0.00242   0.00243   2.08662
   A156       2.08765   0.00030  -0.00070   0.00125   0.00055   2.08821
   A157       2.07914   0.00035  -0.00027   0.00004  -0.00024   2.07890
   A158       2.10483  -0.00049   0.00138  -0.00010   0.00128   2.10611
   A159       2.09922   0.00014  -0.00111   0.00006  -0.00104   2.09818
   A160       2.07932   0.00014  -0.00028  -0.00047  -0.00076   2.07856
   A161       2.10531  -0.00049   0.00142  -0.00029   0.00114   2.10645
   A162       2.09856   0.00035  -0.00114   0.00076  -0.00038   2.09818
   A163       2.11085  -0.00053   0.00054  -0.00317  -0.00266   2.10820
   A164       2.08767   0.00028  -0.00064   0.00112   0.00048   2.08815
   A165       2.08465   0.00025   0.00010   0.00209   0.00219   2.08684
   A166       2.11255   0.00103  -0.00085   0.00304   0.00219   2.11474
   A167       2.08339   0.00005  -0.00057   0.00050  -0.00008   2.08331
   A168       2.08723  -0.00108   0.00142  -0.00355  -0.00213   2.08511
   A169       2.05224  -0.00003   0.00080   0.00286   0.00365   2.05589
   A170       2.11283   0.00090  -0.00007   0.00645   0.00637   2.11919
   A171       2.11807  -0.00087  -0.00074  -0.00923  -0.00998   2.10809
   A172       2.05211  -0.00004   0.00108   0.00308   0.00416   2.05627
   A173       2.11326   0.00075  -0.00017   0.00556   0.00538   2.11865
   A174       2.11775  -0.00071  -0.00093  -0.00855  -0.00949   2.10826
   A175       2.11335   0.00100  -0.00099   0.00272   0.00172   2.11507
   A176       2.08628  -0.00103   0.00151  -0.00319  -0.00169   2.08459
   A177       2.08356   0.00003  -0.00052   0.00047  -0.00005   2.08351
   A178       2.11016  -0.00049   0.00043  -0.00313  -0.00272   2.10744
   A179       2.08464   0.00025   0.00012   0.00219   0.00230   2.08694
   A180       2.08837   0.00024  -0.00055   0.00098   0.00043   2.08881
   A181       2.07905   0.00017  -0.00010  -0.00019  -0.00030   2.07876
   A182       2.10469  -0.00047   0.00121  -0.00042   0.00079   2.10548
   A183       2.09944   0.00030  -0.00110   0.00061  -0.00049   2.09895
    D1        0.01789  -0.00019   0.00244  -0.00218   0.00030   0.01819
    D2        3.13271   0.00060  -0.00354   0.01886   0.01545  -3.13502
    D3       -3.12516  -0.00004   0.00079  -0.00213  -0.00133  -3.12649
    D4       -0.01033   0.00074  -0.00519   0.01891   0.01382   0.00349
    D5        0.01196   0.00008  -0.00125  -0.00022  -0.00149   0.01047
    D6        3.13150   0.00061  -0.00814   0.01206   0.00392   3.13543
    D7       -3.12820  -0.00006   0.00040  -0.00027   0.00014  -3.12805
    D8       -0.00865   0.00047  -0.00650   0.01201   0.00556  -0.00310
    D9       -2.05828  -0.00105   0.02377  -0.02962  -0.00582  -2.06410
   D10        1.07760  -0.00115   0.02427  -0.03013  -0.00584   1.07176
   D11        1.08188  -0.00091   0.02214  -0.02959  -0.00747   1.07441
   D12       -2.06543  -0.00101   0.02264  -0.03010  -0.00749  -2.07292
   D13       -0.03440   0.00007  -0.00156   0.00025  -0.00128  -0.03568
   D14        3.10186   0.00047   0.00205   0.00918   0.01146   3.11332
   D15        3.13507  -0.00076   0.00466  -0.02175  -0.01709   3.11799
   D16       -0.01186  -0.00036   0.00827  -0.01282  -0.00434  -0.01620
   D17        0.02197   0.00015  -0.00044   0.00392   0.00335   0.02531
   D18       -3.08813  -0.00000   0.00153   0.00021   0.00174  -3.08638
   D19       -3.11440  -0.00025  -0.00397  -0.00482  -0.00911  -3.12352
   D20        0.05869  -0.00040  -0.00200  -0.00852  -0.01071   0.04798
   D21        3.08417   0.00021   0.00078   0.00637   0.00706   3.09123
   D22       -0.09208   0.00037   0.00164   0.00649   0.00812  -0.08396
   D23       -0.06286   0.00062   0.00444   0.01545   0.02005  -0.04281
   D24        3.04407   0.00079   0.00530   0.01557   0.02111   3.06518
   D25        0.00707  -0.00026   0.00156  -0.00652  -0.00481   0.00226
   D26        3.13900  -0.00031   0.00173  -0.00731  -0.00549   3.13351
   D27        3.11723  -0.00011  -0.00043  -0.00286  -0.00328   3.11395
   D28       -0.03403  -0.00016  -0.00026  -0.00365  -0.00395  -0.03799
   D29        0.01988  -0.00046  -0.00196  -0.00931  -0.01146   0.00843
   D30        3.13262  -0.00009  -0.00311   0.00021  -0.00388   3.12874
   D31       -3.09047  -0.00058  -0.00002  -0.01283  -0.01292  -3.10339
   D32        0.02227  -0.00021  -0.00117  -0.00331  -0.00534   0.01693
   D33       -0.02422   0.00014  -0.00073   0.00450   0.00372  -0.02050
   D34        3.14007  -0.00045   0.00636  -0.00844  -0.00208   3.13799
   D35        3.12733   0.00018  -0.00093   0.00524   0.00432   3.13164
   D36        0.00843  -0.00041   0.00617  -0.00769  -0.00148   0.00695
   D37       -0.01341   0.00006  -0.00282  -0.00394  -0.00655  -0.01995
   D38        3.08315   0.00085   0.00415   0.00913   0.01333   3.09648
   D39       -3.12100  -0.00019  -0.00359  -0.00441  -0.00786  -3.12886
   D40       -0.02444   0.00061   0.00338   0.00865   0.01201  -0.01243
   D41       -3.10197  -0.00060  -0.00325  -0.01096  -0.01434  -3.11631
   D42        0.04036  -0.00093   0.00602  -0.02183  -0.01583   0.02453
   D43        0.00576  -0.00042  -0.00236  -0.01070  -0.01313  -0.00738
   D44       -3.13510  -0.00075   0.00691  -0.02158  -0.01462   3.13346
   D45        0.09331  -0.00085  -0.00167  -0.01420  -0.01637   0.07694
   D46       -3.00766  -0.00135   0.00846  -0.02823  -0.01966  -3.02732
   D47       -3.00207  -0.00177  -0.00870  -0.02791  -0.03689  -3.03896
   D48        0.18014  -0.00227   0.00143  -0.04193  -0.04018   0.13996
   D49        0.02587  -0.00040  -0.00367  -0.00147  -0.00512   0.02075
   D50       -2.99991  -0.00253   0.00564  -0.05770  -0.05186  -3.05177
   D51        3.12088   0.00054   0.00344   0.01236   0.01559   3.13647
   D52        0.09510  -0.00160   0.01274  -0.04387  -0.03115   0.06395
   D53       -0.09766   0.00114   0.00397   0.02122   0.02564  -0.07202
   D54        3.07434   0.00063   0.00525   0.01076   0.01742   3.09176
   D55        3.00637   0.00140  -0.00543   0.03357   0.02822   3.03459
   D56       -0.10482   0.00089  -0.00415   0.02311   0.02000  -0.08482
   D57       -3.06469  -0.00149  -0.00723  -0.02092  -0.02967  -3.09435
   D58       -0.34528  -0.00006  -0.04491   0.00468  -0.04538  -0.39066
   D59       -0.67934   0.00117   0.05231   0.09806   0.16104  -0.51831
   D60        0.11556  -0.00189   0.00240  -0.03396  -0.03241   0.08315
   D61        2.83496  -0.00046  -0.03528  -0.00836  -0.04812   2.78685
   D62        2.50090   0.00077   0.06194   0.08502   0.15830   2.65920
   D63       -3.07639  -0.00028   0.00558  -0.01128  -0.00519  -3.08158
   D64        0.03533   0.00015   0.00442  -0.00122   0.00283   0.03817
   D65        0.01212  -0.00002   0.00153   0.00540   0.00699   0.01911
   D66        3.12872   0.00059   0.00040   0.01344   0.01390  -3.14057
   D67       -3.13017   0.00030  -0.00744   0.01584   0.00842  -3.12175
   D68       -0.01358   0.00091  -0.00857   0.02388   0.01533   0.00175
   D69       -0.01102   0.00021  -0.00169   0.00200   0.00035  -0.01067
   D70        3.08319   0.00145  -0.00781   0.03168   0.02407   3.10726
   D71       -3.12768  -0.00034  -0.00055  -0.00584  -0.00640  -3.13408
   D72       -0.03347   0.00090  -0.00667   0.02384   0.01733  -0.01615
   D73       -2.12206  -0.00160   0.01528  -0.04426  -0.02902  -2.15108
   D74        1.02665  -0.00181   0.01702  -0.04708  -0.03010   0.99656
   D75        0.99458  -0.00106   0.01411  -0.03652  -0.02237   0.97222
   D76       -2.13989  -0.00127   0.01586  -0.03934  -0.02344  -2.16333
   D77       -0.00806   0.00002   0.00278  -0.00377  -0.00105  -0.00911
   D78        3.02070   0.00195  -0.00627   0.05039   0.04414   3.06484
   D79       -3.10156  -0.00134   0.00895  -0.03462  -0.02552  -3.12709
   D80       -0.07280   0.00060  -0.00009   0.01954   0.01966  -0.05314
   D81       -0.06012   0.00187  -0.00143   0.02354   0.02194  -0.03818
   D82        3.06744   0.00205  -0.00357   0.03119   0.02690   3.09434
   D83       -2.79536  -0.00029   0.03386  -0.00909   0.02477  -2.77059
   D84        0.33220  -0.00011   0.03172  -0.00144   0.02973   0.36193
   D85       -2.51749  -0.00556  -0.07656  -0.11599  -0.18681  -2.70430
   D86        0.61007  -0.00537  -0.07870  -0.10834  -0.18186   0.42821
   D87       -0.01678  -0.00036   0.00153   0.00158   0.00391  -0.01287
   D88       -3.12241  -0.00030  -0.00126  -0.00318  -0.00450  -3.12691
   D89        3.13895  -0.00056   0.00369  -0.00617  -0.00109   3.13785
   D90        0.03331  -0.00050   0.00090  -0.01093  -0.00949   0.02382
   D91       -3.13539   0.00004   0.00126  -0.00379  -0.00252  -3.13791
   D92       -0.08386   0.00025  -0.00066   0.00485   0.00445  -0.07941
   D93       -0.00828   0.00024  -0.00093   0.00414   0.00265  -0.00563
   D94        3.04324   0.00045  -0.00286   0.01279   0.00963   3.05287
   D95        0.02704  -0.00070  -0.00302  -0.01212  -0.01565   0.01139
   D96        3.13213  -0.00075  -0.00020  -0.00722  -0.00707   3.12507
   D97       -0.02987   0.00036  -0.00068   0.00828   0.00745  -0.02241
   D98        3.13625  -0.00041   0.00489  -0.00982  -0.00479   3.13145
   D99       -3.13556   0.00040  -0.00335   0.00344  -0.00095  -3.13650
   D100       0.03056  -0.00037   0.00223  -0.01466  -0.01319   0.01737
   D101      -0.02009   0.00016   0.00074   0.00510   0.00607  -0.01402
   D102       3.11585  -0.00028   0.00530  -0.00495   0.00058   3.11644
   D103      -3.06863  -0.00005   0.00290  -0.00365  -0.00078  -3.06941
   D104       0.06731  -0.00049   0.00747  -0.01370  -0.00626   0.06105
   D105       0.02340  -0.00028  -0.00054  -0.00764  -0.00803   0.01537
   D106       3.13580  -0.00001  -0.00041  -0.00032  -0.00078   3.13502
   D107      -3.11269   0.00015  -0.00496   0.00221  -0.00255  -3.11524
   D108      -0.00029   0.00042  -0.00484   0.00953   0.00470   0.00442
   D109       0.00243   0.00003   0.00050   0.00074   0.00103   0.00346
   D110       3.11903   0.00079  -0.00518   0.01903   0.01345   3.13248
   D111      -3.10951  -0.00024   0.00034  -0.00676  -0.00642  -3.11593
   D112       0.00709   0.00051  -0.00534   0.01153   0.00600   0.01309
   D113      -2.07942  -0.00142   0.02066  -0.03986  -0.01913  -2.09855
   D114       1.06760  -0.00155   0.02052  -0.04361  -0.02301   1.04459
   D115       1.03296  -0.00116   0.02078  -0.03266  -0.01196   1.02100
   D116      -2.10320  -0.00130   0.02065  -0.03641  -0.01584  -2.11904
   D117       3.13136   0.00015   0.00007   0.00336   0.00342   3.13477
   D118       0.00896   0.00031  -0.00767   0.00381  -0.00391   0.00506
   D119      -0.00540   0.00025  -0.00036   0.00382   0.00345  -0.00195
   D120      -3.12779   0.00041  -0.00809   0.00427  -0.00387  -3.13167
   D121      -3.13454  -0.00011   0.00030  -0.00155  -0.00125  -3.13580
   D122       0.02949   0.00005  -0.00724  -0.00061  -0.00792   0.02156
   D123       0.00211  -0.00019   0.00072  -0.00198  -0.00128   0.00084
   D124      -3.11704  -0.00003  -0.00683  -0.00104  -0.00794  -3.12498
   D125       3.13955   0.00009  -0.00056   0.00085   0.00027   3.13982
   D126       0.02669   0.00028  -0.00787   0.00169  -0.00626   0.02044
   D127      -0.00807   0.00025  -0.00203   0.00320   0.00115  -0.00691
   D128      -3.12092   0.00044  -0.00934   0.00404  -0.00538  -3.12629
   D129       3.13838   0.00003   0.00071   0.00134   0.00202   3.14039
   D130       0.02044   0.00025  -0.00712   0.00366  -0.00354   0.01690
   D131       0.00295  -0.00017   0.00222  -0.00113   0.00108   0.00403
   D132      -3.11499   0.00005  -0.00562   0.00120  -0.00448  -3.11947
   D133       3.13833  -0.00003   0.00025  -0.00045  -0.00021   3.13813
   D134       0.02015   0.00014  -0.00666   0.00096  -0.00575   0.01440
   D135      -0.00793   0.00009   0.00035   0.00278   0.00313  -0.00480
   D136      -3.12611   0.00026  -0.00655   0.00419  -0.00242  -3.12852
   D137      -3.14150   0.00007   0.00002   0.00169   0.00170  -3.13980
   D138       0.02220   0.00024  -0.00708   0.00289  -0.00423   0.01797
   D139       0.00471  -0.00005  -0.00009  -0.00148  -0.00159   0.00312
   D140      -3.11478   0.00012  -0.00719  -0.00029  -0.00753  -3.12230
   D141       0.00987  -0.00023   0.00106  -0.00395  -0.00287   0.00701
   D142      -3.10754  -0.00030   0.00119  -0.00713  -0.00593  -3.11347
   D143       3.12476  -0.00027   0.00784  -0.00421   0.00359   3.12835
   D144       0.00734  -0.00035   0.00797  -0.00739   0.00052   0.00787
   D145       3.10999   0.00009   0.00201   0.00496   0.00700   3.11699
   D146      -0.04909   0.00050  -0.00278   0.01448   0.01174  -0.03735
   D147       0.00070   0.00025  -0.00620   0.00563  -0.00054   0.00016
   D148       3.12480   0.00066  -0.01099   0.01515   0.00420   3.12900
   D149      -0.00795   0.00012   0.00030   0.00322   0.00347  -0.00448
   D150       3.10313   0.00035  -0.00094   0.00836   0.00737   3.11050
   D151       3.10417   0.00029   0.00011   0.00742   0.00747   3.11164
   D152      -0.06793   0.00052  -0.00113   0.01256   0.01137  -0.05657
   D153      -0.00844   0.00015  -0.00360   0.00332  -0.00025  -0.00869
   D154       3.13218   0.00010  -0.00195   0.00216   0.00023   3.13241
   D155      -3.11783  -0.00001  -0.00339  -0.00112  -0.00448  -3.12231
   D156       0.02279  -0.00006  -0.00175  -0.00228  -0.00401   0.01879
   D157       0.00314   0.00003  -0.00154  -0.00130  -0.00280   0.00034
   D158       3.12305  -0.00014   0.00571  -0.00317   0.00251   3.12556
   D159      -3.11333  -0.00012  -0.00053  -0.00530  -0.00582  -3.11915
   D160       0.00659  -0.00029   0.00672  -0.00718  -0.00051   0.00607
   D161      -3.11496  -0.00014  -0.00185  -0.00342  -0.00525  -3.12022
   D162       0.02241  -0.00010  -0.00077  -0.00259  -0.00336   0.01906
   D163      -0.00675   0.00010  -0.00321   0.00207  -0.00112  -0.00787
   D164       3.13062   0.00013  -0.00214   0.00290   0.00078   3.13140
   D165       3.11485   0.00001   0.00375   0.00402   0.00780   3.12264
   D166      -0.04016   0.00045   0.00054   0.01500   0.01559  -0.02457
   D167      -0.00030   0.00023  -0.00504   0.00647   0.00146   0.00116
   D168       3.12788   0.00068  -0.00824   0.01745   0.00926   3.13714
   D169       0.00647  -0.00021  -0.00013  -0.00411  -0.00421   0.00226
   D170      -3.11412  -0.00029   0.00017  -0.00716  -0.00699  -3.12111
   D171       3.13028  -0.00028   0.00700  -0.00424   0.00274   3.13301
   D172       0.00968  -0.00036   0.00730  -0.00730  -0.00004   0.00964
   D173       3.11650   0.00014   0.00283   0.00595   0.00879   3.12530
   D174      -0.04125   0.00055   0.00009   0.01612   0.01625  -0.02500
   D175      -0.00356   0.00029  -0.00584   0.00631   0.00050  -0.00307
   D176       3.12187   0.00069  -0.00857   0.01648   0.00795   3.12982
   D177      -0.00509   0.00009   0.00057   0.00285   0.00337  -0.00172
   D178       3.10567   0.00036  -0.00027   0.00898   0.00866   3.11433
   D179       3.11085   0.00024   0.00016   0.00684   0.00695   3.11781
   D180      -0.06157   0.00051  -0.00068   0.01298   0.01223  -0.04934
   D181      -0.00700   0.00012  -0.00318   0.00231  -0.00085  -0.00785
   D182       3.13264   0.00010  -0.00210   0.00213   0.00005   3.13269
   D183      -3.12056  -0.00003  -0.00274  -0.00193  -0.00465  -3.12521
   D184       0.01908  -0.00004  -0.00165  -0.00211  -0.00376   0.01533
   D185       0.00188   0.00006  -0.00079  -0.00056  -0.00132   0.00056
   D186       3.12291  -0.00007   0.00620  -0.00119   0.00497   3.12787
   D187      -3.11433  -0.00013  -0.00011  -0.00540  -0.00551  -3.11984
   D188       0.00669  -0.00025   0.00687  -0.00604   0.00078   0.00747
   D189      -3.11443  -0.00018  -0.00235  -0.00476  -0.00709  -3.12152
   D190       0.02451  -0.00015  -0.00084  -0.00379  -0.00462   0.01988
   D191      -0.00658   0.00010  -0.00328   0.00183  -0.00141  -0.00799
   D192       3.13236   0.00013  -0.00177   0.00280   0.00105   3.13341
   D193       3.11550   0.00004   0.00333   0.00464   0.00801   3.12351
   D194      -0.03781   0.00038  -0.00064   0.01265   0.01205  -0.02576
   D195      -0.00100   0.00020  -0.00513   0.00556   0.00046  -0.00054
   D196       3.12887   0.00054  -0.00909   0.01357   0.00450   3.13338
   D197       0.00796  -0.00009  -0.00047  -0.00296  -0.00340   0.00456
   D198      -3.11101  -0.00021  -0.00011  -0.00648  -0.00658  -3.11759
   D199       3.12803  -0.00020   0.00592  -0.00399   0.00190   3.12994
   D200       0.00906  -0.00032   0.00628  -0.00751  -0.00127   0.00779
   D201       3.11093   0.00010   0.00291   0.00518   0.00812   3.11905
   D202      -0.04206   0.00045   0.00000   0.01412   0.01416  -0.02791
   D203      -0.00443   0.00026  -0.00484   0.00661   0.00180  -0.00264
   D204       3.12576   0.00061  -0.00775   0.01555   0.00783   3.13359
   D205      -0.00502   0.00007   0.00041   0.00202   0.00240  -0.00262
   D206       3.10796   0.00029  -0.00000   0.00755   0.00749   3.11545
   D207       3.10912   0.00025  -0.00005   0.00652   0.00643   3.11555
   D208      -0.06108   0.00047  -0.00046   0.01204   0.01152  -0.04956
   D209      -0.00663   0.00012  -0.00282   0.00262  -0.00018  -0.00681
   D210       3.13208   0.00011  -0.00174   0.00242   0.00070   3.13278
   D211      -3.11820  -0.00007  -0.00232  -0.00219  -0.00449  -3.12269
   D212       0.02051  -0.00007  -0.00123  -0.00239  -0.00361   0.01690
   D213       0.00024  -0.00001  -0.00019  -0.00034  -0.00050  -0.00027
   D214       3.12145  -0.00011   0.00637  -0.00118   0.00516   3.12661
   D215      -3.11784  -0.00016   0.00013  -0.00467  -0.00453  -3.12237
   D216       0.00338  -0.00026   0.00669  -0.00551   0.00113   0.00451
   D217      -3.11628  -0.00014  -0.00243  -0.00415  -0.00657  -3.12285
   D218       0.02243  -0.00011  -0.00143  -0.00355  -0.00497   0.01747
   D219      -0.00599   0.00009  -0.00289   0.00177  -0.00110  -0.00709
   D220       3.13273   0.00012  -0.00189   0.00237   0.00050   3.13322
   D221       3.12046   0.00004   0.00251   0.00345   0.00598   3.12644
   D222      -0.03162   0.00038   0.00022   0.01209   0.01236  -0.01926
   D223       0.00361   0.00020  -0.00544   0.00465  -0.00076   0.00285
   D224       3.13472   0.00054  -0.00772   0.01330   0.00561   3.14033
   D225       0.00089   0.00014  -0.00163   0.00339   0.00175   0.00264
   D226      -3.13507  -0.00014  -0.00103  -0.00468  -0.00572  -3.14079
   D227      -3.13650   0.00010  -0.00272   0.00256  -0.00014  -3.13665
   D228       0.01072  -0.00017  -0.00212  -0.00550  -0.00761   0.00311
   D229       0.00558  -0.00020   0.00331  -0.00411  -0.00081   0.00477
   D230      -3.13934  -0.00027   0.00167  -0.00767  -0.00599   3.13785
   D231       3.14155   0.00008   0.00272   0.00394   0.00664  -3.13499
   D232      -0.00337   0.00000   0.00107   0.00038   0.00146  -0.00191
   D233      -0.00576   0.00001   0.00001  -0.00081  -0.00080  -0.00656
   D234      -3.13388  -0.00045   0.00323  -0.01198  -0.00869   3.14062
   D235       3.13917   0.00008   0.00166   0.00274   0.00438  -3.13963
   D236       0.01105  -0.00038   0.00488  -0.00842  -0.00350   0.00755
   D237      -0.00756   0.00003   0.00028   0.00000   0.00028  -0.00728
   D238       3.13561   0.00008   0.00051   0.00256   0.00306   3.13867
   D239      -3.13163  -0.00041   0.00508  -0.00972  -0.00460  -3.13622
   D240       0.01155  -0.00035   0.00531  -0.00715  -0.00182   0.00973
   D241       0.00646  -0.00021   0.00384  -0.00384  -0.00001   0.00645
   D242       3.13921   0.00011   0.00189   0.00440   0.00629  -3.13769
   D243      -3.13671  -0.00026   0.00361  -0.00640  -0.00279  -3.13950
   D244      -0.00397   0.00005   0.00166   0.00184   0.00351  -0.00045
   D245       0.00183   0.00011  -0.00208   0.00204  -0.00005   0.00178
   D246      -3.13879   0.00016  -0.00373   0.00319  -0.00052  -3.13932
   D247      -3.13090  -0.00021  -0.00012  -0.00623  -0.00636  -3.13726
   D248       0.01166  -0.00016  -0.00178  -0.00507  -0.00684   0.00482
   D249       0.00105   0.00010  -0.00171   0.00253   0.00080   0.00185
   D250      -3.13391  -0.00014  -0.00057  -0.00463  -0.00522  -3.13913
   D251      -3.13790   0.00007  -0.00323   0.00156  -0.00165  -3.13955
   D252       0.01033  -0.00017  -0.00209  -0.00560  -0.00768   0.00265
   D253       0.00479  -0.00016   0.00346  -0.00301   0.00044   0.00524
   D254      -3.13978  -0.00020   0.00232  -0.00577  -0.00344   3.13996
   D255       3.13977   0.00009   0.00233   0.00413   0.00645  -3.13696
   D256      -0.00481   0.00004   0.00119   0.00137   0.00257  -0.00224
   D257      -0.00473   0.00001  -0.00005  -0.00102  -0.00106  -0.00579
   D258      -3.13456  -0.00034   0.00393  -0.00916  -0.00519  -3.13975
   D259       3.13985   0.00005   0.00110   0.00174   0.00282  -3.14051
   D260       0.01002  -0.00030   0.00508  -0.00640  -0.00130   0.00872
   D261      -0.00508   0.00001   0.00043  -0.00049  -0.00007  -0.00515
   D262       3.13984   0.00005   0.00177   0.00232   0.00407  -3.13927
   D263      -3.13038  -0.00042   0.00319  -0.01092  -0.00768  -3.13806
   D264       0.01453  -0.00038   0.00453  -0.00810  -0.00353   0.01100
   D265       0.00764  -0.00023   0.00348  -0.00426  -0.00079   0.00685
   D266       3.14108   0.00008   0.00252   0.00405   0.00657  -3.13554
   D267      -3.13727  -0.00027   0.00214  -0.00707  -0.00493   3.14099
   D268      -0.00383   0.00004   0.00118   0.00124   0.00243  -0.00140
   D269      -0.00134   0.00016  -0.00202   0.00324   0.00122  -0.00013
   D270      -3.14100   0.00017  -0.00311   0.00342   0.00032  -3.14067
   D271      -3.13477  -0.00015  -0.00106  -0.00509  -0.00615  -3.14092
   D272       0.00877  -0.00014  -0.00215  -0.00491  -0.00705   0.00172
   D273       0.00171   0.00012  -0.00180   0.00256   0.00075   0.00245
   D274      -3.13531  -0.00012  -0.00104  -0.00429  -0.00534  -3.14065
   D275      -3.13702   0.00010  -0.00281   0.00196  -0.00085  -3.13787
   D276       0.00915  -0.00014  -0.00205  -0.00489  -0.00693   0.00222
   D277       0.00552  -0.00018   0.00304  -0.00344  -0.00041   0.00511
   D278      -3.14144  -0.00021   0.00186  -0.00570  -0.00382   3.13792
   D279      -3.14064   0.00006   0.00228   0.00339   0.00566  -3.13498
   D280      -0.00441   0.00003   0.00110   0.00114   0.00225  -0.00216
   D281      -0.00801   0.00001   0.00056  -0.00018   0.00038  -0.00762
   D282      -3.13908  -0.00034   0.00285  -0.00896  -0.00605   3.13805
   D283       3.13897   0.00004   0.00174   0.00206   0.00379  -3.14043
   D284       0.00789  -0.00031   0.00403  -0.00671  -0.00264   0.00525
   D285      -0.00246   0.00000   0.00009  -0.00099  -0.00090  -0.00336
   D286      -3.14124   0.00005   0.00121   0.00178   0.00298  -3.13826
   D287      -3.13262  -0.00036   0.00301  -0.01005  -0.00700  -3.13962
   D288       0.01178  -0.00032   0.00413  -0.00728  -0.00312   0.00866
   D289       0.00471  -0.00019   0.00320  -0.00366  -0.00047   0.00424
   D290       3.14016   0.00008   0.00241   0.00395   0.00636  -3.13667
   D291      -3.13968  -0.00023   0.00207  -0.00644  -0.00436   3.13915
   D292      -0.00424   0.00003   0.00128   0.00117   0.00247  -0.00177
   D293      -0.00000   0.00012  -0.00175   0.00276   0.00100   0.00099
   D294      -3.13872   0.00013  -0.00285   0.00295   0.00012  -3.13860
   D295      -3.13543  -0.00014  -0.00096  -0.00487  -0.00584  -3.14128
   D296       0.00903  -0.00013  -0.00206  -0.00468  -0.00672   0.00231
         Item               Value     Threshold  Converged?
 Maximum Force            0.009098     0.000450     NO 
 RMS     Force            0.001388     0.000300     NO 
 Maximum Displacement     0.550022     0.001800     NO 
 RMS     Displacement     0.077912     0.001200     NO 
 Predicted change in Energy=-5.595997D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.024450    2.952293    0.186783
      2          6           0       -2.299526    1.600406    0.022068
      3          6           0       -1.274920    0.635728    0.003766
      4          6           0        0.058132    1.085434    0.114594
      5          6           0        0.333632    2.457963    0.269490
      6          6           0       -0.692437    3.381979    0.317902
      7          6           0       -1.554054   -0.798023   -0.134482
      8          6           0       -0.492383   -1.748682   -0.211265
      9          6           0        0.872454   -1.274056   -0.175683
     10          6           0        1.157583    0.128259    0.030904
     11          6           0       -2.869896   -1.275687   -0.154605
     12          6           0       -3.159977   -2.636773   -0.255226
     13          6           0       -2.109753   -3.561912   -0.315837
     14          6           0       -0.795315   -3.129974   -0.289057
     15          7           0        1.938052   -2.083245   -0.371045
     16          6           0        3.221990   -1.630188   -0.280815
     17          6           0        3.436400   -0.251667   -0.017531
     18          7           0        2.392040    0.589413    0.124307
     19          6           0        4.308655   -2.520867   -0.435933
     20          6           0        5.584855   -2.018659   -0.332291
     21          6           0        5.824405   -0.635070   -0.092127
     22          6           0        4.762649    0.235152    0.060773
     23          7           0       -3.076310    3.898313    0.219500
     24          7           0       -4.500922   -3.073330   -0.273135
     25          7           0        7.152105   -0.171679    0.013775
     26          6           0       -5.058707   -3.988905    0.622729
     27          6           0       -6.421710   -4.177168    0.294006
     28          6           0       -6.694778   -3.345262   -0.856311
     29          6           0       -5.487168   -2.678865   -1.178070
     30          6           0       -3.243803    4.937666   -0.692203
     31          6           0       -4.406097    5.668537   -0.347374
     32          6           0       -4.960705    5.038966    0.829526
     33          6           0       -4.113955    3.949743    1.150444
     34          6           0        7.716207    0.463954    1.123308
     35          6           0        9.068040    0.767120    0.834649
     36          6           0        9.327313    0.299323   -0.508490
     37          6           0        8.122879   -0.273469   -0.982653
     38          6           0       -7.830060   -3.130384   -1.645584
     39          6           0       -7.749220   -2.257335   -2.725869
     40          6           0       -6.545995   -1.599101   -3.028172
     41          6           0       -5.401092   -1.803483   -2.262999
     42          6           0       -4.464752   -4.639513    1.705540
     43          6           0       -5.261876   -5.491736    2.464679
     44          6           0       -6.619383   -5.684391    2.158252
     45          6           0       -7.205174   -5.031820    1.078418
     46          6           0       -6.067140    5.312051    1.642667
     47          6           0       -6.315260    4.499651    2.743943
     48          6           0       -5.469600    3.418475    3.044063
     49          6           0       -4.358871    3.131853    2.255862
     50          6           0       -2.462420    5.274592   -1.798635
     51          6           0       -2.863620    6.362553   -2.568623
     52          6           0       -4.019744    7.093754   -2.247296
     53          6           0       -4.793384    6.753894   -1.141914
     54          6           0       10.446966    0.335323   -1.346917
     55          6           0       10.351272   -0.201992   -2.626907
     56          6           0        9.149974   -0.771739   -3.079518
     57          6           0        8.020138   -0.811084   -2.266986
     58          6           0        7.141306    0.773055    2.356654
     59          6           0        7.943790    1.393081    3.310240
     60          6           0        9.289548    1.694876    3.043318
     61          6           0        9.857033    1.385239    1.811677
     62          1           0       -3.339353    1.315926   -0.081118
     63          1           0        1.365139    2.773299    0.359610
     64          1           0       -0.484064    4.439900    0.440486
     65          1           0       -3.709150   -0.595308   -0.091288
     66          1           0       -2.326288   -4.623997   -0.361931
     67          1           0       -0.001536   -3.875788   -0.264380
     68          1           0        1.848379   -3.192677   -0.200353
     69          1           0        4.106812   -3.580805   -0.553186
     70          1           0        6.436832   -2.683595   -0.423697
     71          1           0        4.922953    1.289666    0.252420
     72          1           0       -8.763617   -3.638262   -1.422474
     73          1           0       -8.625171   -2.083819   -3.343454
     74          1           0       -6.507211   -0.925486   -3.878224
     75          1           0       -4.475316   -1.292172   -2.503273
     76          1           0       -3.415942   -4.499701    1.945418
     77          1           0       -4.827788   -6.013890    3.311236
     78          1           0       -7.216995   -6.352618    2.770765
     79          1           0       -8.255769   -5.185457    0.850705
     80          1           0       -6.725467    6.146513    1.419984
     81          1           0       -7.172155    4.701987    3.379241
     82          1           0       -5.683906    2.800338    3.910002
     83          1           0       -3.711494    2.294460    2.492759
     84          1           0       -1.566895    4.713404   -2.047316
     85          1           0       -2.277951    6.648032   -3.436709
     86          1           0       -4.311801    7.934453   -2.869205
     87          1           0       -5.685555    7.324999   -0.902809
     88          1           0       11.379364    0.776654   -1.007785
     89          1           0       11.214788   -0.179604   -3.284598
     90          1           0        9.100138   -1.181045   -4.083395
     91          1           0        7.094115   -1.249896   -2.624196
     92          1           0        6.101958    0.544457    2.568954
     93          1           0        7.524429    1.642446    4.279641
     94          1           0        9.892905    2.174665    3.807829
     95          1           0       10.898888    1.619567    1.614793
     96         17           0        2.024352   -4.945978    0.301202
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462388           0.0187465           0.0148307
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7846.3309654033 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.51D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    0.999994    0.003179    0.000336   -0.001410 Ang=   0.40 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58143541     A.U. after   13 cycles
            NFock= 13  Conv=0.56D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.002599094   -0.000262213    0.001008954
      2        6          -0.003306165   -0.001645151    0.002571033
      3        6          -0.001515715    0.002385998   -0.000493096
      4        6           0.002307845    0.000594108    0.000226745
      5        6          -0.001542952   -0.000597563    0.000245393
      6        6           0.000869388    0.002134472   -0.001875415
      7        6           0.000475521   -0.002226906    0.000198004
      8        6           0.000394582   -0.003523742    0.001265935
      9        6           0.007783756    0.005899538   -0.004852516
     10        6          -0.002468216   -0.001663490   -0.002255685
     11        6          -0.003432316   -0.001858901   -0.003630272
     12        6           0.000372321    0.003876180   -0.000751865
     13        6           0.004437187   -0.003254611    0.002532271
     14        6          -0.002370077    0.001682400    0.002136129
     15        7          -0.009348717   -0.006768526    0.017020102
     16        6          -0.000475564   -0.005855234   -0.003063861
     17        6           0.001018876    0.000965720   -0.001858089
     18        7           0.000985954    0.004780684    0.000528929
     19        6           0.001811890    0.001432215    0.002246746
     20        6           0.001013085   -0.001969055   -0.002511489
     21        6          -0.003355484    0.000266582    0.000263442
     22        6           0.001458990    0.001110858    0.002704316
     23        7           0.004174128   -0.003284251    0.000032044
     24        7           0.005130146    0.001851626    0.000896987
     25        7          -0.003305054   -0.002008935   -0.000281110
     26        6           0.000576687   -0.004681095    0.001848532
     27        6          -0.001722352   -0.001077527    0.002314754
     28        6          -0.001005748   -0.000807127   -0.002271028
     29        6          -0.004992429    0.003306923   -0.002621488
     30        6           0.000067818    0.005204734   -0.002516287
     31        6          -0.001504671    0.000741921   -0.002263388
     32        6          -0.001457697    0.001091792    0.002250991
     33        6          -0.004083681   -0.002895643    0.002409227
     34        6          -0.000694246    0.003743138    0.002736079
     35        6           0.001863342    0.000439178    0.002265157
     36        6           0.001169974    0.001467395   -0.001742491
     37        6           0.004515644   -0.001973512   -0.002997333
     38        6          -0.000448202    0.000395807   -0.000069262
     39        6          -0.000829810    0.000063503   -0.000375253
     40        6          -0.000861374   -0.001382629    0.000008280
     41        6           0.001377582    0.001747047    0.000089000
     42        6           0.001890092   -0.000234307    0.000806093
     43        6          -0.001424154   -0.000234647   -0.000075614
     44        6          -0.000184431   -0.000872271    0.000380240
     45        6           0.000239774   -0.000397186   -0.000170360
     46        6          -0.000316150   -0.000431762   -0.000120661
     47        6          -0.000820267   -0.000243195    0.000442387
     48        6          -0.001001889    0.001336204   -0.000112238
     49        6           0.001485931   -0.001716151   -0.000015340
     50        6           0.002399808    0.000005988   -0.000883326
     51        6          -0.001552986    0.000140610   -0.000011898
     52        6          -0.000336506    0.000806434   -0.000342611
     53        6           0.000157493    0.000553741   -0.000087804
     54        6           0.000385691   -0.000381082   -0.000256767
     55        6           0.000914770    0.000124969   -0.000373112
     56        6           0.000764375    0.001138826    0.000298008
     57        6          -0.001399199   -0.001623510   -0.000971761
     58        6          -0.002528465   -0.000588541    0.000665822
     59        6           0.001541886    0.000264131   -0.000075973
     60        6           0.000264169    0.000671834    0.000647033
     61        6          -0.000201036    0.000418066    0.000096373
     62        1           0.000626202   -0.000156117   -0.000706452
     63        1           0.000619002   -0.000299249   -0.000069705
     64        1           0.000180495   -0.000469454    0.000866531
     65        1           0.000475818    0.000284537    0.001176997
     66        1          -0.000064629    0.000444894   -0.001064547
     67        1          -0.000988757    0.000737186   -0.002996970
     68        1           0.002899482   -0.000428545   -0.005063516
     69        1           0.000183751    0.000145317   -0.001329325
     70        1           0.000159646    0.000018468    0.000541020
     71        1          -0.000495016    0.000041941   -0.000805568
     72        1           0.000262558   -0.000295556    0.000504676
     73        1           0.000124652    0.000158153    0.000035082
     74        1           0.000455966    0.000505423   -0.000008371
     75        1           0.000484197   -0.000472296   -0.000390410
     76        1          -0.000788877    0.000377495    0.000460279
     77        1           0.000540455    0.000150495    0.000076624
     78        1           0.000152790    0.000093620    0.000024076
     79        1          -0.000129887    0.000349910   -0.000462702
     80        1           0.000259853    0.000315670   -0.000485812
     81        1           0.000144850   -0.000108917   -0.000001308
     82        1           0.000460932   -0.000474960    0.000052957
     83        1           0.000539545    0.000425936    0.000218522
     84        1          -0.000924636   -0.000234216   -0.000454639
     85        1           0.000585222   -0.000093205   -0.000027333
     86        1           0.000181176   -0.000033312    0.000009540
     87        1          -0.000134911   -0.000332210    0.000440540
     88        1          -0.000228717    0.000148807    0.000541574
     89        1          -0.000118304   -0.000153303   -0.000039031
     90        1          -0.000381928   -0.000462828   -0.000146088
     91        1          -0.000090390    0.000636360   -0.000115653
     92        1           0.000623502   -0.000396656    0.000073703
     93        1          -0.000569892   -0.000153877    0.000055579
     94        1          -0.000175197   -0.000027016   -0.000013370
     95        1           0.000133941   -0.000188338   -0.000504948
     96       17          -0.000965139    0.003761987   -0.001599569
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.017020102 RMS     0.002112003

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.006805461 RMS     0.001033549
 Search for a local minimum.
 Step number   9 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    8    9
 DE= -5.63D-03 DEPred=-5.60D-03 R= 1.01D+00
 TightC=F SS=  1.41D+00  RLast= 5.30D-01 DXNew= 5.0454D+00 1.5892D+00
 Trust test= 1.01D+00 RLast= 5.30D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.01179   0.01458   0.02578   0.02706   0.02711
     Eigenvalues ---    0.02724   0.02733   0.02745   0.02747   0.02751
     Eigenvalues ---    0.02759   0.02768   0.02770   0.02778   0.02783
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02793   0.02795
     Eigenvalues ---    0.02797   0.02812   0.02815   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02821   0.02826   0.02831
     Eigenvalues ---    0.02833   0.02837   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02850   0.02856
     Eigenvalues ---    0.02857   0.02864   0.02867   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02875
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02881   0.02883   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02892   0.02893   0.02895   0.02897   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02902   0.02908
     Eigenvalues ---    0.02909   0.02928   0.02939   0.02941   0.02945
     Eigenvalues ---    0.02980   0.03021   0.03026   0.03077   0.03111
     Eigenvalues ---    0.03127   0.03130   0.03135   0.03147   0.03151
     Eigenvalues ---    0.03186   0.03430   0.03617   0.04127   0.12585
     Eigenvalues ---    0.15531   0.15940   0.15995   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16010
     Eigenvalues ---    0.16043   0.16084   0.16124   0.18801   0.21716
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22000   0.22001
     Eigenvalues ---    0.22214   0.22432   0.22446   0.22582   0.22602
     Eigenvalues ---    0.22602   0.22603   0.22605   0.22674   0.22743
     Eigenvalues ---    0.23485   0.23515   0.23841   0.24199   0.24493
     Eigenvalues ---    0.24494   0.24519   0.24531   0.24537   0.24611
     Eigenvalues ---    0.24655   0.24767   0.24929   0.24948   0.24979
     Eigenvalues ---    0.24981   0.24984   0.24986   0.24993   0.24995
     Eigenvalues ---    0.24995   0.24999   0.24999   0.25000   0.25020
     Eigenvalues ---    0.25155   0.25264   0.26116   0.27614   0.31041
     Eigenvalues ---    0.33229   0.33242   0.33248   0.33253   0.33255
     Eigenvalues ---    0.33256   0.33285   0.33329   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33396   0.33399   0.33456   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33680
     Eigenvalues ---    0.33843   0.33859   0.33875   0.33887   0.33894
     Eigenvalues ---    0.33903   0.33908   0.33937   0.33953   0.34209
     Eigenvalues ---    0.34352   0.34781   0.36170   0.44417   0.44435
     Eigenvalues ---    0.44892   0.45254   0.46598   0.48274   0.48966
     Eigenvalues ---    0.48971   0.49034   0.49627   0.49691   0.50187
     Eigenvalues ---    0.50353   0.50381   0.50461   0.50593   0.50611
     Eigenvalues ---    0.50618   0.50902   0.52540   0.52968   0.53575
     Eigenvalues ---    0.54063   0.54082   0.54187   0.54193   0.54205
     Eigenvalues ---    0.54562   0.54818   0.54893   0.55054   0.55436
     Eigenvalues ---    0.55489   0.55599   0.55725   0.55899   0.55916
     Eigenvalues ---    0.55945   0.56124   0.56134   0.56145   0.56220
     Eigenvalues ---    0.56388   0.56635   0.56665   0.56665   0.56667
     Eigenvalues ---    0.56680   0.56690   0.56702   0.56712   0.56813
     Eigenvalues ---    0.56899   0.56908   0.57111   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57178   0.58597   0.61040
     Eigenvalues ---    0.63877   0.64317   0.65960   0.66057   0.67600
     Eigenvalues ---    0.67726   0.68009   0.69780   0.69925   0.69979
     Eigenvalues ---    0.73764   0.76252
 RFO step:  Lambda=-6.11819366D-03 EMin= 1.17926965D-02
 Quartic linear search produced a step of  0.24741.
 Iteration  1 RMS(Cart)=  0.16724003 RMS(Int)=  0.00325576
 Iteration  2 RMS(Cart)=  0.00965985 RMS(Int)=  0.00082538
 Iteration  3 RMS(Cart)=  0.00002919 RMS(Int)=  0.00082534
 Iteration  4 RMS(Cart)=  0.00000036 RMS(Int)=  0.00082534
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.62556   0.00137   0.00063   0.00628   0.00693   2.63250
    R2        2.65645   0.00124   0.00087   0.00518   0.00606   2.66251
    R3        2.67410   0.00184  -0.00036   0.00144   0.00108   2.67518
    R4        2.65959   0.00062   0.00057   0.00180   0.00238   2.66197
    R5        2.04651  -0.00038  -0.00038  -0.00279  -0.00317   2.04334
    R6        2.66682   0.00275   0.00186   0.01138   0.01314   2.67996
    R7        2.77260   0.00295  -0.00177   0.00395   0.00212   2.77472
    R8        2.66158  -0.00029  -0.00016  -0.00159  -0.00176   2.65982
    R9        2.75925   0.00090  -0.00008   0.00058   0.00047   2.75972
   R10        2.61095   0.00016   0.00068   0.00171   0.00239   2.61334
   R11        2.04542   0.00037  -0.00047   0.00060   0.00013   2.04555
   R12        2.05072  -0.00037  -0.00051  -0.00264  -0.00315   2.04757
   R13        2.69695   0.00050   0.00089   0.00198   0.00286   2.69981
   R14        2.64562   0.00216   0.00075   0.00629   0.00689   2.65251
   R15        2.73150   0.00243   0.00061   0.00340   0.00410   2.73560
   R16        2.67634  -0.00164  -0.00070  -0.00576  -0.00634   2.67000
   R17        2.73225  -0.00022   0.00187  -0.00111   0.00075   2.73299
   R18        2.55529  -0.00421  -0.00100  -0.01235  -0.01278   2.54251
   R19        2.49649   0.00346   0.00049   0.00873   0.00856   2.50505
   R20        2.63671  -0.00047   0.00108   0.00281   0.00378   2.64049
   R21        2.04516  -0.00026  -0.00056  -0.00262  -0.00318   2.04198
   R22        2.64732   0.00270   0.00114   0.00980   0.01097   2.65829
   R23        2.66514   0.00169  -0.00008   0.00170   0.00161   2.66675
   R24        2.61509  -0.00165   0.00046  -0.00333  -0.00272   2.61237
   R25        2.05019  -0.00039  -0.00031  -0.00251  -0.00282   2.04737
   R26        2.05879  -0.00136   0.00274  -0.00187   0.00088   2.05967
   R27        2.57856   0.00131  -0.00029   0.00109   0.00145   2.58000
   R28        2.12795  -0.00143   0.02632   0.03959   0.07510   2.20305
   R29        5.55933  -0.00260  -0.01970  -0.07102  -0.10031   5.45902
   R30        2.68289   0.00435   0.00155   0.01384   0.01557   2.69846
   R31        2.67128   0.00176   0.00164   0.00509   0.00682   2.67810
   R32        2.54813   0.00270  -0.00140   0.00414   0.00218   2.55031
   R33        2.67385   0.00124   0.00005   0.00252   0.00257   2.67643
   R34        2.59907   0.00010   0.00040   0.00102   0.00141   2.60048
   R35        2.05099   0.00002   0.00033   0.00045   0.00078   2.05177
   R36        2.69203   0.00172   0.00057   0.00498   0.00546   2.69749
   R37        2.04960   0.00011  -0.00020  -0.00080  -0.00100   2.04860
   R38        2.61028  -0.00006   0.00102   0.00311   0.00405   2.61433
   R39        2.66494   0.00265  -0.00035   0.00322   0.00287   2.66781
   R40        2.04791  -0.00006  -0.00032  -0.00150  -0.00182   2.04609
   R41        2.63175   0.00681  -0.00169   0.01222   0.01053   2.64229
   R42        2.63616   0.00446  -0.00202   0.00824   0.00621   2.64237
   R43        2.64020   0.00603  -0.00172   0.01035   0.00863   2.64883
   R44        2.63696   0.00535  -0.00198   0.00992   0.00795   2.64490
   R45        2.64109   0.00467  -0.00203   0.00761   0.00559   2.64668
   R46        2.63590   0.00557  -0.00168   0.01014   0.00846   2.64436
   R47        2.67333   0.00230   0.00142   0.00751   0.00892   2.68225
   R48        2.63788   0.00122   0.00120   0.00539   0.00660   2.64448
   R49        2.73186   0.00288  -0.00042   0.00497   0.00455   2.73641
   R50        2.64531   0.00002   0.00018   0.00003   0.00020   2.64551
   R51        2.67644   0.00141   0.00115   0.00521   0.00636   2.68280
   R52        2.64426   0.00017   0.00012   0.00042   0.00053   2.64479
   R53        2.63938   0.00033   0.00100   0.00367   0.00468   2.64406
   R54        2.67515   0.00226   0.00132   0.00737   0.00869   2.68384
   R55        2.63769   0.00139   0.00119   0.00583   0.00703   2.64471
   R56        2.73132   0.00294  -0.00023   0.00537   0.00513   2.73645
   R57        2.64513   0.00026   0.00023   0.00064   0.00086   2.64599
   R58        2.67674   0.00165   0.00125   0.00573   0.00698   2.68371
   R59        2.64560   0.00006   0.00013   0.00015   0.00028   2.64588
   R60        2.63945   0.00019   0.00087   0.00324   0.00412   2.64357
   R61        2.67427   0.00209   0.00126   0.00685   0.00811   2.68238
   R62        2.63696   0.00096   0.00099   0.00487   0.00587   2.64283
   R63        2.73200   0.00290  -0.00023   0.00543   0.00520   2.73720
   R64        2.64505   0.00017   0.00013   0.00033   0.00045   2.64550
   R65        2.67487   0.00191   0.00121   0.00648   0.00770   2.68257
   R66        2.64418   0.00025   0.00018   0.00067   0.00084   2.64503
   R67        2.63825   0.00085   0.00103   0.00466   0.00570   2.64394
   R68        2.62921   0.00052   0.00021   0.00151   0.00172   2.63093
   R69        2.05211   0.00009  -0.00020  -0.00017  -0.00038   2.05174
   R70        2.65398   0.00055   0.00069   0.00222   0.00290   2.65688
   R71        2.05173  -0.00012  -0.00019  -0.00089  -0.00108   2.05065
   R72        2.63077   0.00086   0.00001   0.00253   0.00255   2.63332
   R73        2.05090   0.00028  -0.00030   0.00032   0.00002   2.05091
   R74        2.04949   0.00012  -0.00015  -0.00098  -0.00113   2.04836
   R75        2.63071   0.00087   0.00012   0.00254   0.00267   2.63338
   R76        2.05024  -0.00047  -0.00071  -0.00296  -0.00367   2.04657
   R77        2.65494   0.00028   0.00045   0.00134   0.00178   2.65672
   R78        2.05080   0.00026  -0.00019   0.00044   0.00024   2.05104
   R79        2.62872   0.00045   0.00016   0.00143   0.00159   2.63030
   R80        2.05176  -0.00012  -0.00019  -0.00090  -0.00109   2.05067
   R81        2.05208   0.00010  -0.00023  -0.00014  -0.00037   2.05171
   R82        2.62826   0.00070   0.00030   0.00208   0.00237   2.63063
   R83        2.05217   0.00011  -0.00019  -0.00009  -0.00028   2.05189
   R84        2.65515   0.00054   0.00070   0.00218   0.00288   2.65803
   R85        2.05173  -0.00012  -0.00016  -0.00083  -0.00099   2.05075
   R86        2.63014   0.00090   0.00009   0.00277   0.00286   2.63300
   R87        2.05092   0.00029  -0.00026   0.00041   0.00014   2.05106
   R88        2.04967   0.00019  -0.00010  -0.00066  -0.00076   2.04891
   R89        2.63039   0.00097   0.00013   0.00277   0.00291   2.63330
   R90        2.05167  -0.00069  -0.00055  -0.00363  -0.00418   2.04750
   R91        2.65540   0.00035   0.00059   0.00164   0.00223   2.65763
   R92        2.05110   0.00027  -0.00024   0.00041   0.00017   2.05127
   R93        2.62930   0.00034   0.00020   0.00116   0.00135   2.63065
   R94        2.05176  -0.00010  -0.00016  -0.00080  -0.00096   2.05080
   R95        2.05216   0.00010  -0.00020  -0.00011  -0.00031   2.05185
   R96        2.62953   0.00050   0.00023   0.00154   0.00176   2.63129
   R97        2.05203   0.00010  -0.00020  -0.00010  -0.00029   2.05174
   R98        2.65410   0.00059   0.00067   0.00227   0.00294   2.65704
   R99        2.05165  -0.00010  -0.00016  -0.00078  -0.00094   2.05071
   R100       2.63092   0.00090   0.00004   0.00252   0.00256   2.63348
   R101       2.05084   0.00028  -0.00024   0.00046   0.00022   2.05106
   R102       2.05074  -0.00026  -0.00029  -0.00208  -0.00237   2.04838
   R103       2.63055   0.00096   0.00011   0.00277   0.00288   2.63343
   R104       2.05065  -0.00037  -0.00026  -0.00240  -0.00266   2.04799
   R105       2.65464   0.00049   0.00064   0.00205   0.00270   2.65734
   R106       2.05084   0.00029  -0.00023   0.00050   0.00028   2.05112
   R107       2.62859   0.00060   0.00031   0.00191   0.00222   2.63081
   R108       2.05165  -0.00010  -0.00016  -0.00075  -0.00091   2.05074
   R109       2.05202   0.00011  -0.00019  -0.00005  -0.00024   2.05177
   R110       3.46217  -0.00155  -0.07128  -0.07862  -0.14024   3.32193
    A1        2.08987   0.00085  -0.00236  -0.00293  -0.00523   2.08464
    A2        2.10141  -0.00181   0.00018  -0.00477  -0.00462   2.09679
    A3        2.09190   0.00096   0.00217   0.00771   0.00985   2.10175
    A4        2.12274  -0.00100   0.00201   0.00119   0.00310   2.12584
    A5        2.04540   0.00100  -0.00068   0.00607   0.00522   2.05062
    A6        2.11498  -0.00000  -0.00127  -0.00699  -0.00842   2.10656
    A7        2.05810   0.00038  -0.00052   0.00176   0.00129   2.05939
    A8        2.13238   0.00004   0.00063  -0.00096  -0.00030   2.13209
    A9        2.09268  -0.00042  -0.00012  -0.00085  -0.00112   2.09156
   A10        2.09896  -0.00053  -0.00093  -0.00601  -0.00693   2.09203
   A11        2.09194   0.00081   0.00003   0.00514   0.00506   2.09700
   A12        2.09190  -0.00028   0.00091   0.00108   0.00205   2.09395
   A13        2.10634   0.00088   0.00068   0.00637   0.00704   2.11338
   A14        2.07085  -0.00103   0.00176  -0.00261  -0.00084   2.07000
   A15        2.10595   0.00015  -0.00244  -0.00378  -0.00622   2.09973
   A16        2.08979  -0.00060   0.00112  -0.00033   0.00076   2.09054
   A17        2.08342   0.00053   0.00228   0.00925   0.01145   2.09487
   A18        2.10986   0.00007  -0.00338  -0.00862  -0.01209   2.09776
   A19        2.11119  -0.00104   0.00035  -0.00550  -0.00517   2.10602
   A20        2.11015   0.00105   0.00169   0.00861   0.01031   2.12045
   A21        2.06138   0.00000  -0.00203  -0.00298  -0.00501   2.05637
   A22        2.07415   0.00082   0.00100   0.00515   0.00609   2.08024
   A23        2.08692  -0.00029   0.00062  -0.00233  -0.00158   2.08534
   A24        2.12183  -0.00052  -0.00147  -0.00251  -0.00425   2.11758
   A25        2.10389   0.00048  -0.00146   0.00420   0.00220   2.10609
   A26        2.14605  -0.00395  -0.00227  -0.01901  -0.02201   2.12403
   A27        2.03269   0.00348   0.00375   0.01547   0.02029   2.05298
   A28        2.08921  -0.00057   0.00074  -0.00541  -0.00466   2.08455
   A29        2.06090   0.00104   0.00185   0.01207   0.01387   2.07477
   A30        2.13287  -0.00046  -0.00254  -0.00646  -0.00904   2.12383
   A31        2.12853  -0.00085   0.00283   0.00361   0.00629   2.13482
   A32        2.11007  -0.00014  -0.00214  -0.00926  -0.01142   2.09865
   A33        2.04458   0.00099  -0.00069   0.00563   0.00492   2.04951
   A34        2.08456   0.00056  -0.00261  -0.00303  -0.00556   2.07901
   A35        2.09502  -0.00087  -0.00033  -0.00088  -0.00129   2.09373
   A36        2.10346   0.00032   0.00298   0.00408   0.00698   2.11044
   A37        2.10031  -0.00127   0.00071  -0.00574  -0.00490   2.09541
   A38        2.09290   0.00058   0.00330   0.00965   0.01250   2.10540
   A39        2.08974   0.00071  -0.00383  -0.00321  -0.00749   2.08225
   A40        2.10442   0.00186   0.00049   0.01065   0.01076   2.11517
   A41        2.10666  -0.00081  -0.00093  -0.00231  -0.00433   2.10233
   A42        2.07010  -0.00097   0.00133  -0.00467  -0.00443   2.06567
   A43        2.13325  -0.00059  -0.00301   0.00064  -0.00600   2.12725
   A44        2.10010   0.00376   0.00772   0.06119   0.06622   2.16631
   A45        2.18026   0.00124   0.02997   0.00639   0.03474   2.21500
   A46        1.97364  -0.00171  -0.00567   0.00149  -0.01097   1.96266
   A47        1.85499   0.00033  -0.00100   0.00238   0.00072   1.85571
   A48        2.06776  -0.00068   0.00171  -0.00757  -0.00463   2.06313
   A49        2.10235   0.00250  -0.00076   0.01684   0.01516   2.11751
   A50        2.11304  -0.00182  -0.00094  -0.00917  -0.01050   2.10254
   A51        2.10388   0.00065  -0.00017   0.00695   0.00683   2.11071
   A52        2.07818   0.00051   0.00054   0.00238   0.00308   2.08126
   A53        2.10080  -0.00116  -0.00031  -0.00928  -0.00981   2.09099
   A54        2.09272  -0.00228   0.00088  -0.00492  -0.00483   2.08789
   A55        2.06572   0.00103  -0.00049   0.00601   0.00567   2.07139
   A56        2.07628  -0.00031  -0.00055   0.00083   0.00008   2.07636
   A57        2.13803  -0.00068   0.00118  -0.00520  -0.00422   2.13381
   A58        2.12161  -0.00007   0.00183   0.00173   0.00359   2.12519
   A59        2.09286   0.00021  -0.00378  -0.00715  -0.01098   2.08188
   A60        2.06866  -0.00014   0.00195   0.00532   0.00722   2.07588
   A61        2.09588   0.00057  -0.00173  -0.00406  -0.00584   2.09004
   A62        2.08302  -0.00089   0.00167   0.00064   0.00231   2.08534
   A63        2.10407   0.00032   0.00010   0.00356   0.00367   2.10774
   A64        2.09163  -0.00022   0.00087   0.00343   0.00425   2.09588
   A65        2.07513  -0.00040  -0.00146  -0.00924  -0.01086   2.06427
   A66        2.11636   0.00062   0.00064   0.00608   0.00656   2.12293
   A67        2.18119   0.00275  -0.00000   0.00937   0.00937   2.19056
   A68        2.20556  -0.00185  -0.00086  -0.00796  -0.00882   2.19674
   A69        1.89642  -0.00090   0.00086  -0.00141  -0.00054   1.89588
   A70        2.18255   0.00281   0.00083   0.01048   0.01130   2.19385
   A71        2.20525  -0.00190  -0.00160  -0.00911  -0.01072   2.19453
   A72        1.89538  -0.00091   0.00076  -0.00135  -0.00057   1.89481
   A73        2.20069  -0.00001  -0.00070  -0.00253  -0.00324   2.19746
   A74        2.18660   0.00081  -0.00015   0.00367   0.00351   2.19011
   A75        1.89589  -0.00080   0.00085  -0.00114  -0.00028   1.89561
   A76        1.89956  -0.00061  -0.00005  -0.00112  -0.00119   1.89837
   A77        2.25616   0.00117   0.00334   0.01118   0.01450   2.27067
   A78        2.12725  -0.00057  -0.00325  -0.01028  -0.01355   2.11371
   A79        1.86535   0.00078  -0.00042   0.00131   0.00089   1.86624
   A80        2.08321   0.00014   0.00194   0.00700   0.00892   2.09213
   A81        2.33437  -0.00091  -0.00150  -0.00818  -0.00968   2.32469
   A82        1.86552   0.00073  -0.00042   0.00093   0.00051   1.86603
   A83        2.33291  -0.00052  -0.00122  -0.00608  -0.00731   2.32560
   A84        2.08447  -0.00021   0.00166   0.00532   0.00695   2.09143
   A85        1.89895   0.00000   0.00013   0.00026   0.00038   1.89932
   A86        2.26187  -0.00047   0.00219   0.00506   0.00721   2.26908
   A87        2.12223   0.00047  -0.00229  -0.00553  -0.00786   2.11438
   A88        1.90137  -0.00074  -0.00003  -0.00148  -0.00152   1.89985
   A89        2.25460   0.00122   0.00259   0.01030   0.01287   2.26747
   A90        2.12715  -0.00047  -0.00254  -0.00894  -0.01150   2.11565
   A91        1.86346   0.00074  -0.00048   0.00142   0.00095   1.86441
   A92        2.08200   0.00010   0.00169   0.00660   0.00827   2.09027
   A93        2.33753  -0.00084  -0.00120  -0.00791  -0.00911   2.32842
   A94        1.86508   0.00070  -0.00038   0.00065   0.00026   1.86534
   A95        2.33399  -0.00036  -0.00108  -0.00508  -0.00617   2.32783
   A96        2.08386  -0.00033   0.00149   0.00461   0.00607   2.08993
   A97        1.89844   0.00020   0.00003   0.00083   0.00086   1.89930
   A98        2.26139  -0.00080   0.00210   0.00373   0.00582   2.26721
   A99        2.12325   0.00060  -0.00211  -0.00472  -0.00685   2.11640
   A100       1.89764  -0.00007   0.00004   0.00046   0.00049   1.89813
   A101       2.26027  -0.00001   0.00221   0.00549   0.00769   2.26795
   A102       2.12514   0.00008  -0.00223  -0.00614  -0.00839   2.11675
   A103       1.86659   0.00053  -0.00043   0.00022  -0.00021   1.86638
   A104       2.08367  -0.00014   0.00152   0.00512   0.00662   2.09029
   A105       2.33271  -0.00038  -0.00108  -0.00522  -0.00629   2.32641
   A106       1.86456   0.00065  -0.00043   0.00109   0.00067   1.86522
   A107       2.33487  -0.00049  -0.00116  -0.00611  -0.00727   2.32760
   A108       2.08354  -0.00016   0.00161   0.00515   0.00674   2.09027
   A109       1.90008  -0.00031  -0.00003  -0.00063  -0.00066   1.89942
   A110       2.25758   0.00020   0.00227   0.00679   0.00904   2.26662
   A111       2.12541   0.00011  -0.00221  -0.00633  -0.00857   2.11684
   A112       2.07965   0.00014  -0.00017  -0.00016  -0.00036   2.07930
   A113       2.10573  -0.00072   0.00021  -0.00454  -0.00431   2.10141
   A114       2.09780   0.00058  -0.00004   0.00470   0.00467   2.10247
   A115       2.10715  -0.00025  -0.00068  -0.00404  -0.00474   2.10241
   A116       2.08871   0.00028   0.00011   0.00279   0.00289   2.09160
   A117       2.08732  -0.00002   0.00057   0.00123   0.00179   2.08912
   A118       2.11468   0.00069   0.00048   0.00521   0.00568   2.12037
   A119       2.08302   0.00028   0.00016   0.00292   0.00308   2.08609
   A120       2.08545  -0.00096  -0.00064  -0.00812  -0.00876   2.07669
   A121       2.05814  -0.00083   0.00100  -0.00072   0.00024   2.05838
   A122       2.11786   0.00031   0.00166   0.00614   0.00775   2.12561
   A123       2.10718   0.00052  -0.00264  -0.00535  -0.00803   2.09914
   A124       2.05408  -0.00034   0.00176   0.00261   0.00433   2.05841
   A125       2.12090   0.00026   0.00115   0.00478   0.00588   2.12678
   A126       2.10814   0.00008  -0.00290  -0.00721  -0.01015   2.09798
   A127       2.11563   0.00073   0.00034   0.00477   0.00510   2.12074
   A128       2.08391  -0.00087  -0.00008  -0.00651  -0.00659   2.07732
   A129       2.08363   0.00015  -0.00026   0.00174   0.00148   2.08512
   A130       2.10817  -0.00028  -0.00093  -0.00490  -0.00587   2.10229
   A131       2.08655   0.00000   0.00064   0.00174   0.00237   2.08892
   A132       2.08847   0.00028   0.00029   0.00318   0.00347   2.09194
   A133       2.07798   0.00033   0.00014   0.00092   0.00103   2.07900
   A134       2.10639  -0.00077   0.00018  -0.00469  -0.00450   2.10189
   A135       2.09882   0.00043  -0.00032   0.00377   0.00346   2.10228
   A136       2.07940   0.00015  -0.00012  -0.00004  -0.00018   2.07922
   A137       2.10585  -0.00071   0.00019  -0.00454  -0.00434   2.10151
   A138       2.09793   0.00057  -0.00006   0.00457   0.00452   2.10245
   A139       2.10742  -0.00021  -0.00064  -0.00377  -0.00443   2.10299
   A140       2.08893   0.00024   0.00008   0.00254   0.00261   2.09155
   A141       2.08683  -0.00003   0.00056   0.00124   0.00179   2.08862
   A142       2.11510   0.00066   0.00042   0.00494   0.00536   2.12046
   A143       2.08272   0.00027   0.00011   0.00281   0.00292   2.08564
   A144       2.08535  -0.00093  -0.00054  -0.00774  -0.00828   2.07707
   A145       2.05731  -0.00086   0.00096  -0.00093   0.00000   2.05731
   A146       2.11798   0.00016   0.00143   0.00474   0.00614   2.12412
   A147       2.10787   0.00070  -0.00238  -0.00372  -0.00613   2.10174
   A148       2.05535  -0.00050   0.00115   0.00107   0.00218   2.05753
   A149       2.11595   0.00042   0.00155   0.00654   0.00806   2.12400
   A150       2.11186   0.00008  -0.00268  -0.00751  -0.01023   2.10163
   A151       2.11457   0.00081   0.00049   0.00549   0.00598   2.12055
   A152       2.08573  -0.00093  -0.00035  -0.00729  -0.00765   2.07808
   A153       2.08286   0.00011  -0.00014   0.00181   0.00167   2.08453
   A154       2.10836  -0.00026  -0.00073  -0.00466  -0.00542   2.10294
   A155       2.08662  -0.00002   0.00060   0.00161   0.00220   2.08883
   A156       2.08821   0.00028   0.00014   0.00305   0.00318   2.09139
   A157       2.07890   0.00032  -0.00006   0.00057   0.00049   2.07938
   A158       2.10611  -0.00073   0.00032  -0.00429  -0.00396   2.10215
   A159       2.09818   0.00041  -0.00026   0.00371   0.00347   2.10165
   A160       2.07856   0.00025  -0.00019   0.00036   0.00016   2.07872
   A161       2.10645  -0.00074   0.00028  -0.00452  -0.00423   2.10221
   A162       2.09818   0.00049  -0.00009   0.00416   0.00407   2.10225
   A163       2.10820  -0.00024  -0.00066  -0.00415  -0.00483   2.10337
   A164       2.08815   0.00028   0.00012   0.00296   0.00307   2.09122
   A165       2.08684  -0.00005   0.00054   0.00118   0.00172   2.08856
   A166       2.11474   0.00070   0.00054   0.00518   0.00572   2.12046
   A167       2.08331   0.00019  -0.00002   0.00218   0.00216   2.08547
   A168       2.08511  -0.00090  -0.00053  -0.00735  -0.00787   2.07723
   A169       2.05589  -0.00067   0.00090  -0.00016   0.00072   2.05661
   A170       2.11919   0.00033   0.00158   0.00587   0.00741   2.12661
   A171       2.10809   0.00034  -0.00247  -0.00566  -0.00816   2.09993
   A172       2.05627  -0.00071   0.00103  -0.00040   0.00060   2.05686
   A173       2.11865   0.00025   0.00133   0.00501   0.00631   2.12495
   A174       2.10826   0.00046  -0.00235  -0.00455  -0.00692   2.10133
   A175       2.11507   0.00073   0.00043   0.00518   0.00560   2.12067
   A176       2.08459  -0.00088  -0.00042  -0.00709  -0.00751   2.07708
   A177       2.08351   0.00015  -0.00001   0.00192   0.00191   2.08542
   A178       2.10744  -0.00019  -0.00067  -0.00390  -0.00460   2.10284
   A179       2.08694  -0.00004   0.00057   0.00131   0.00188   2.08882
   A180       2.08881   0.00023   0.00011   0.00259   0.00269   2.09150
   A181       2.07876   0.00023  -0.00007   0.00024   0.00015   2.07891
   A182       2.10548  -0.00067   0.00020  -0.00405  -0.00384   2.10164
   A183       2.09895   0.00044  -0.00012   0.00380   0.00369   2.10264
    D1        0.01819  -0.00016   0.00007  -0.00377  -0.00365   0.01454
    D2       -3.13502   0.00030   0.00382   0.02317   0.02717  -3.10785
    D3       -3.12649  -0.00001  -0.00033  -0.00225  -0.00255  -3.12904
    D4        0.00349   0.00045   0.00342   0.02469   0.02827   0.03175
    D5        0.01047   0.00007  -0.00037   0.00130   0.00093   0.01141
    D6        3.13543   0.00050   0.00097   0.02187   0.02298  -3.12478
    D7       -3.12805  -0.00007   0.00004  -0.00019  -0.00014  -3.12819
    D8       -0.00310   0.00036   0.00137   0.02038   0.02190   0.01880
    D9       -2.06410  -0.00114  -0.00144  -0.07502  -0.07644  -2.14054
   D10        1.07176  -0.00118  -0.00144  -0.07443  -0.07587   0.99590
   D11        1.07441  -0.00099  -0.00185  -0.07351  -0.07536   0.99904
   D12       -2.07292  -0.00103  -0.00185  -0.07292  -0.07478  -2.14770
   D13       -0.03568   0.00011  -0.00032   0.00156   0.00123  -0.03446
   D14        3.11332   0.00031   0.00284   0.00972   0.01266   3.12598
   D15        3.11799  -0.00037  -0.00423  -0.02654  -0.03066   3.08733
   D16       -0.01620  -0.00017  -0.00107  -0.01838  -0.01923  -0.03542
   D17        0.02531   0.00003   0.00083   0.00294   0.00370   0.02901
   D18       -3.08638  -0.00014   0.00043  -0.00537  -0.00492  -3.09130
   D19       -3.12352  -0.00016  -0.00225  -0.00502  -0.00746  -3.13097
   D20        0.04798  -0.00034  -0.00265  -0.01333  -0.01607   0.03191
   D21        3.09123   0.00022   0.00175   0.00661   0.00830   3.09953
   D22       -0.08396   0.00045   0.00201   0.01133   0.01337  -0.07059
   D23       -0.04281   0.00043   0.00496   0.01491   0.01993  -0.02289
   D24        3.06518   0.00065   0.00522   0.01964   0.02500   3.09018
   D25        0.00226  -0.00008  -0.00119  -0.00536  -0.00645  -0.00420
   D26        3.13351  -0.00014  -0.00136  -0.00773  -0.00899   3.12451
   D27        3.11395   0.00011  -0.00081   0.00302   0.00220   3.11615
   D28       -0.03799   0.00005  -0.00098   0.00065  -0.00034  -0.03832
   D29        0.00843  -0.00036  -0.00283  -0.01108  -0.01402  -0.00559
   D30        3.12874  -0.00011  -0.00096  -0.00060  -0.00210   3.12664
   D31       -3.10339  -0.00052  -0.00320  -0.01923  -0.02249  -3.12588
   D32        0.01693  -0.00028  -0.00132  -0.00875  -0.01057   0.00635
   D33       -0.02050   0.00004   0.00092   0.00320   0.00407  -0.01643
   D34        3.13799  -0.00040  -0.00051  -0.01787  -0.01824   3.11975
   D35        3.13164   0.00011   0.00107   0.00560   0.00662   3.13826
   D36        0.00695  -0.00033  -0.00037  -0.01546  -0.01569  -0.00874
   D37       -0.01995   0.00027  -0.00162   0.00864   0.00708  -0.01287
   D38        3.09648   0.00075   0.00330   0.02275   0.02604   3.12252
   D39       -3.12886   0.00002  -0.00194   0.00382   0.00190  -3.12696
   D40       -0.01243   0.00051   0.00297   0.01793   0.02087   0.00843
   D41       -3.11631  -0.00046  -0.00355  -0.01681  -0.02052  -3.13682
   D42        0.02453  -0.00075  -0.00392  -0.03816  -0.04205  -0.01752
   D43       -0.00738  -0.00026  -0.00325  -0.01227  -0.01560  -0.02298
   D44        3.13346  -0.00055  -0.00362  -0.03362  -0.03713   3.09633
   D45        0.07694  -0.00091  -0.00405  -0.03296  -0.03740   0.03954
   D46       -3.02732  -0.00137  -0.00486  -0.05514  -0.05984  -3.08716
   D47       -3.03896  -0.00141  -0.00913  -0.04737  -0.05677  -3.09573
   D48        0.13996  -0.00187  -0.00994  -0.06955  -0.07921   0.06075
   D49        0.02075  -0.00036  -0.00127  -0.01079  -0.01205   0.00870
   D50       -3.05177  -0.00186  -0.01283  -0.07346  -0.08616  -3.13792
   D51        3.13647   0.00016   0.00386   0.00383   0.00749  -3.13922
   D52        0.06395  -0.00135  -0.00771  -0.05884  -0.06662  -0.00266
   D53       -0.07202   0.00102   0.00634   0.03482   0.04139  -0.03063
   D54        3.09176   0.00074   0.00431   0.02367   0.02884   3.12060
   D55        3.03459   0.00130   0.00698   0.05491   0.06208   3.09667
   D56       -0.08482   0.00103   0.00495   0.04376   0.04953  -0.03529
   D57       -3.09435  -0.00144  -0.00734  -0.04249  -0.05089   3.13795
   D58       -0.39066   0.00216  -0.01123   0.13110   0.12074  -0.26992
   D59       -0.51831   0.00087   0.03984  -0.02033   0.02224  -0.49606
   D60        0.08315  -0.00184  -0.00802  -0.06364  -0.07234   0.01080
   D61        2.78685   0.00177  -0.01191   0.10994   0.09928   2.88612
   D62        2.65920   0.00047   0.03916  -0.04148   0.00079   2.65998
   D63       -3.08158  -0.00020  -0.00128  -0.01475  -0.01562  -3.09720
   D64        0.03817   0.00005   0.00070  -0.00397  -0.00336   0.03480
   D65        0.01911  -0.00012   0.00173  -0.00083   0.00098   0.02009
   D66       -3.14057   0.00029   0.00344   0.01033   0.01382  -3.12676
   D67       -3.12175   0.00016   0.00208   0.01977   0.02194  -3.09981
   D68        0.00175   0.00058   0.00379   0.03093   0.03478   0.03653
   D69       -0.01067   0.00026   0.00009   0.00842   0.00853  -0.00214
   D70        3.10726   0.00106   0.00596   0.04327   0.04948  -3.12644
   D71       -3.13408  -0.00015  -0.00158  -0.00275  -0.00435  -3.13843
   D72       -0.01615   0.00066   0.00429   0.03211   0.03660   0.02046
   D73       -2.15108  -0.00146  -0.00718  -0.08211  -0.08933  -2.24041
   D74        0.99656  -0.00159  -0.00745  -0.08595  -0.09343   0.90312
   D75        0.97222  -0.00103  -0.00553  -0.07090  -0.07639   0.89583
   D76       -2.16333  -0.00116  -0.00580  -0.07474  -0.08049  -2.24382
   D77       -0.00911  -0.00003  -0.00026  -0.00253  -0.00287  -0.01198
   D78        3.06484   0.00145   0.01092   0.05893   0.06971   3.13454
   D79       -3.12709  -0.00084  -0.00631  -0.03750  -0.04355   3.11255
   D80       -0.05314   0.00064   0.00486   0.02396   0.02903  -0.02411
   D81       -0.03818   0.00152   0.00543   0.04508   0.04999   0.01181
   D82        3.09434   0.00177   0.00665   0.05729   0.06313  -3.12572
   D83       -2.77059  -0.00309   0.00613  -0.13094  -0.12124  -2.89184
   D84        0.36193  -0.00284   0.00736  -0.11873  -0.10811   0.25382
   D85       -2.70430  -0.00075  -0.04622   0.02516  -0.02063  -2.72493
   D86        0.42821  -0.00051  -0.04499   0.03738  -0.00749   0.42072
   D87       -0.01287  -0.00012   0.00097  -0.00149  -0.00001  -0.01288
   D88       -3.12691  -0.00012  -0.00111  -0.00351  -0.00470  -3.13160
   D89        3.13785  -0.00040  -0.00027  -0.01392  -0.01317   3.12469
   D90        0.02382  -0.00039  -0.00235  -0.01594  -0.01786   0.00596
   D91       -3.13791   0.00000  -0.00062  -0.00283  -0.00348  -3.14139
   D92       -0.07941   0.00049   0.00110   0.01852   0.01980  -0.05961
   D93       -0.00563   0.00026   0.00066   0.00972   0.00999   0.00436
   D94        3.05287   0.00075   0.00238   0.03107   0.03326   3.08614
   D95        0.01139  -0.00066  -0.00387  -0.01798  -0.02205  -0.01066
   D96        3.12507  -0.00064  -0.00175  -0.01575  -0.01713   3.10794
   D97       -0.02241   0.00025   0.00184   0.01046   0.01219  -0.01022
   D98        3.13145  -0.00025  -0.00119  -0.01477  -0.01575   3.11570
   D99       -3.13650   0.00022  -0.00023   0.00818   0.00729  -3.12921
   D100       0.01737  -0.00028  -0.00326  -0.01705  -0.02065  -0.00329
   D101      -0.01402   0.00002   0.00150   0.00181   0.00339  -0.01063
   D102       3.11644  -0.00013   0.00014  -0.00894  -0.00861   3.10783
   D103      -3.06941  -0.00051  -0.00019  -0.02067  -0.02093  -3.09033
   D104       0.06105  -0.00066  -0.00155  -0.03142  -0.03293   0.02812
   D105       0.01537  -0.00014  -0.00199  -0.00704  -0.00891   0.00646
   D106       3.13502   0.00001  -0.00019   0.00032   0.00013   3.13516
   D107      -3.11524   0.00000  -0.00063   0.00363   0.00317  -3.11207
   D108       0.00442   0.00015   0.00116   0.01100   0.01221   0.01663
   D109       0.00346   0.00000   0.00025   0.00065   0.00079   0.00425
   D110       3.13248   0.00051   0.00333   0.02638   0.02957  -3.12113
   D111      -3.11593  -0.00013  -0.00159  -0.00676  -0.00835  -3.12428
   D112       0.01309   0.00038   0.00148   0.01896   0.02043   0.03352
   D113      -2.09855  -0.00138  -0.00473  -0.08220  -0.08690  -2.18545
   D114       1.04459  -0.00149  -0.00569  -0.08659  -0.09225   0.95234
   D115       1.02100  -0.00123  -0.00296  -0.07490  -0.07789   0.94311
   D116      -2.11904  -0.00134  -0.00392  -0.07929  -0.08324  -2.20228
   D117       3.13477   0.00008   0.00085   0.00274   0.00358   3.13836
   D118       0.00506   0.00033  -0.00097   0.01510   0.01418   0.01924
   D119      -0.00195   0.00011   0.00085   0.00227   0.00312   0.00117
   D120      -3.13167   0.00036  -0.00096   0.01463   0.01372  -3.11795
   D121      -3.13580  -0.00011  -0.00031  -0.00253  -0.00283  -3.13863
   D122       0.02156   0.00011  -0.00196   0.00885   0.00691   0.02847
   D123       0.00084  -0.00013  -0.00032  -0.00198  -0.00230  -0.00146
   D124      -3.12498   0.00009  -0.00196   0.00939   0.00744  -3.11755
   D125       3.13982   0.00004   0.00007   0.00039   0.00042   3.14024
   D126       0.02044   0.00029  -0.00155   0.01213   0.01059   0.03103
   D127      -0.00691   0.00015   0.00029   0.00362   0.00390  -0.00301
   D128      -3.12629   0.00040  -0.00133   0.01536   0.01407  -3.11222
   D129       3.14039  -0.00002   0.00050   0.00062   0.00109   3.14149
   D130       0.01690   0.00028  -0.00088   0.01471   0.01385   0.03075
   D131       0.00403  -0.00015   0.00027  -0.00273  -0.00247   0.00156
   D132      -3.11947   0.00015  -0.00111   0.01136   0.01029  -3.10918
   D133       3.13813  -0.00009  -0.00005  -0.00254  -0.00257   3.13555
   D134       0.01440   0.00014  -0.00142   0.00945   0.00806   0.02246
   D135      -0.00480   0.00001   0.00077   0.00125   0.00203  -0.00277
   D136      -3.12852   0.00024  -0.00060   0.01323   0.01266  -3.11586
   D137      -3.13980   0.00007   0.00042   0.00257   0.00300  -3.13679
   D138       0.01797   0.00030  -0.00105   0.01438   0.01338   0.03135
   D139       0.00312  -0.00003  -0.00039  -0.00117  -0.00157   0.00155
   D140      -3.12230   0.00020  -0.00186   0.01064   0.00881  -3.11350
   D141       0.00701  -0.00008  -0.00071  -0.00305  -0.00376   0.00325
   D142      -3.11347  -0.00020  -0.00147  -0.00830  -0.00985  -3.12332
   D143       3.12835  -0.00028   0.00089  -0.01343  -0.01244   3.11591
   D144       0.00787  -0.00040   0.00013  -0.01868  -0.01852  -0.01066
   D145       3.11699  -0.00001   0.00173   0.00110   0.00280   3.11980
   D146      -0.03735   0.00032   0.00291   0.01664   0.01960  -0.01775
   D147       0.00016   0.00027  -0.00013   0.01403   0.01386   0.01402
   D148       3.12900   0.00059   0.00104   0.02958   0.03065  -3.12353
   D149      -0.00448  -0.00001   0.00086   0.00135   0.00221  -0.00226
   D150       3.11050   0.00019   0.00182   0.00936   0.01116   3.12165
   D151       3.11164   0.00015   0.00185   0.00799   0.00982   3.12146
   D152      -0.05657   0.00036   0.00281   0.01600   0.01876  -0.03781
   D153      -0.00869   0.00020  -0.00006   0.00864   0.00863  -0.00006
   D154       3.13241   0.00014   0.00006   0.00592   0.00601   3.13842
   D155      -3.12231   0.00002  -0.00111   0.00146   0.00037  -3.12194
   D156       0.01879  -0.00004  -0.00099  -0.00127  -0.00224   0.01655
   D157       0.00034   0.00009  -0.00069   0.00082   0.00013   0.00046
   D158       3.12556  -0.00019   0.00062  -0.01180  -0.01111   3.11444
   D159      -3.11915  -0.00007  -0.00144  -0.00564  -0.00714  -3.12629
   D160       0.00607  -0.00035  -0.00013  -0.01826  -0.01838  -0.01231
   D161      -3.12022  -0.00005  -0.00130  -0.00065  -0.00194  -3.12216
   D162       0.01906  -0.00007  -0.00083  -0.00195  -0.00277   0.01629
   D163      -0.00787   0.00018  -0.00028   0.00807   0.00781  -0.00006
   D164       3.13140   0.00016   0.00019   0.00677   0.00698   3.13839
   D165       3.12264  -0.00012   0.00193  -0.00162   0.00029   3.12293
   D166      -0.02457   0.00020   0.00386   0.01361   0.01753  -0.00704
   D167       0.00116   0.00022   0.00036   0.01397   0.01429   0.01546
   D168       3.13714   0.00054   0.00229   0.02919   0.03154  -3.11451
   D169       0.00226  -0.00005  -0.00104  -0.00165  -0.00269  -0.00043
   D170      -3.12111  -0.00016  -0.00173  -0.00681  -0.00861  -3.12972
   D171       3.13301  -0.00026   0.00068  -0.01278  -0.01200   3.12101
   D172       0.00964  -0.00038  -0.00001  -0.01794  -0.01792  -0.00828
   D173       3.12530  -0.00001   0.00218   0.00043   0.00257   3.12787
   D174      -0.02500   0.00026   0.00402   0.01422   0.01830  -0.00670
   D175      -0.00307   0.00027   0.00012   0.01414   0.01421   0.01115
   D176       3.12982   0.00054   0.00197   0.02792   0.02993  -3.12343
   D177      -0.00172  -0.00003   0.00083   0.00043   0.00126  -0.00046
   D178       3.11433   0.00020   0.00214   0.00935   0.01145   3.12578
   D179       3.11781   0.00012   0.00172   0.00692   0.00863   3.12643
   D180      -0.04934   0.00036   0.00303   0.01584   0.01882  -0.03052
   D181      -0.00785   0.00017  -0.00021   0.00749   0.00731  -0.00054
   D182       3.13269   0.00015   0.00001   0.00594   0.00598   3.13867
   D183      -3.12521  -0.00001  -0.00115   0.00044  -0.00071  -3.12592
   D184       0.01533  -0.00003  -0.00093  -0.00111  -0.00204   0.01329
   D185       0.00056   0.00010  -0.00033   0.00094   0.00061   0.00118
   D186       3.12787  -0.00011   0.00123  -0.00928  -0.00800   3.11988
   D187      -3.11984  -0.00009  -0.00136  -0.00630  -0.00772  -3.12756
   D188       0.00747  -0.00030   0.00019  -0.01652  -0.01633  -0.00886
   D189      -3.12152  -0.00009  -0.00175  -0.00212  -0.00385  -3.12537
   D190       0.01988  -0.00012  -0.00114  -0.00375  -0.00488   0.01500
   D191      -0.00799   0.00017  -0.00035   0.00762   0.00729  -0.00070
   D192       3.13341   0.00014   0.00026   0.00598   0.00626   3.13967
   D193       3.12351  -0.00007   0.00198  -0.00016   0.00182   3.12534
   D194      -0.02576   0.00020   0.00298   0.01316   0.01620  -0.00956
   D195      -0.00054   0.00017   0.00011   0.01244   0.01253   0.01199
   D196       3.13338   0.00044   0.00111   0.02576   0.02690  -3.12291
   D197       0.00456   0.00002  -0.00084  -0.00084  -0.00168   0.00288
   D198      -3.11759  -0.00011  -0.00163  -0.00618  -0.00786  -3.12545
   D199       3.12994  -0.00019   0.00047  -0.01158  -0.01104   3.11890
   D200       0.00779  -0.00032  -0.00031  -0.01692  -0.01722  -0.00943
   D201       3.11905  -0.00005   0.00201  -0.00018   0.00181   3.12086
   D202      -0.02791   0.00019   0.00350   0.01235   0.01590  -0.01201
   D203      -0.00264   0.00021   0.00044   0.01308   0.01349   0.01085
   D204       3.13359   0.00045   0.00194   0.02562   0.02758  -3.12202
   D205      -0.00262  -0.00004   0.00059   0.00013   0.00072  -0.00190
   D206       3.11545   0.00015   0.00185   0.00755   0.00938   3.12483
   D207       3.11555   0.00013   0.00159   0.00674   0.00832   3.12387
   D208      -0.04956   0.00031   0.00285   0.01417   0.01698  -0.03258
   D209      -0.00681   0.00016  -0.00004   0.00745   0.00743   0.00062
   D210       3.13278   0.00014   0.00017   0.00569   0.00588   3.13866
   D211      -3.12269  -0.00003  -0.00111   0.00026  -0.00085  -3.12353
   D212       0.01690  -0.00005  -0.00089  -0.00150  -0.00239   0.01451
   D213      -0.00027   0.00004  -0.00012   0.00063   0.00051   0.00024
   D214       3.12661  -0.00017   0.00128  -0.00997  -0.00862   3.11799
   D215      -3.12237  -0.00011  -0.00112  -0.00535  -0.00653  -3.12891
   D216       0.00451  -0.00031   0.00028  -0.01595  -0.01566  -0.01115
   D217      -3.12285  -0.00006  -0.00163  -0.00120  -0.00282  -3.12566
   D218       0.01747  -0.00007  -0.00123  -0.00243  -0.00365   0.01382
   D219      -0.00709   0.00015  -0.00027   0.00689   0.00663  -0.00045
   D220       3.13322   0.00014   0.00012   0.00566   0.00580   3.13903
   D221       3.12644  -0.00004   0.00148  -0.00060   0.00087   3.12730
   D222      -0.01926   0.00017   0.00306   0.01085   0.01396  -0.00531
   D223       0.00285   0.00022  -0.00019   0.01248   0.01226   0.01511
   D224       3.14033   0.00043   0.00139   0.02393   0.02536  -3.11750
   D225       0.00264   0.00010   0.00043   0.00564   0.00608   0.00872
   D226      -3.14079  -0.00001  -0.00141  -0.00190  -0.00331   3.13908
   D227      -3.13665   0.00012  -0.00004   0.00694   0.00692  -3.12973
   D228       0.00311   0.00001  -0.00188  -0.00060  -0.00247   0.00064
   D229       0.00477  -0.00023  -0.00020  -0.00996  -0.01016  -0.00539
   D230       3.13785  -0.00013  -0.00148  -0.00876  -0.01024   3.12761
   D231      -3.13499  -0.00011   0.00164  -0.00243  -0.00078  -3.13577
   D232      -0.00191  -0.00002   0.00036  -0.00123  -0.00086  -0.00277
   D233      -0.00656   0.00007  -0.00020   0.00009  -0.00015  -0.00671
   D234       3.14062  -0.00025  -0.00215  -0.01509  -0.01717   3.12344
   D235      -3.13963  -0.00004   0.00108  -0.00117  -0.00013  -3.13975
   D236       0.00755  -0.00035  -0.00087  -0.01634  -0.01715  -0.00960
   D237      -0.00728   0.00005   0.00007   0.00018   0.00019  -0.00709
   D238       3.13867  -0.00001   0.00076   0.00053   0.00124   3.13991
   D239      -3.13622  -0.00027  -0.00114  -0.01534  -0.01644   3.13053
   D240       0.00973  -0.00033  -0.00045  -0.01498  -0.01539  -0.00566
   D241       0.00645  -0.00024  -0.00000  -0.00981  -0.00981  -0.00337
   D242      -3.13769  -0.00006   0.00156  -0.00046   0.00112  -3.13658
   D243      -3.13950  -0.00018  -0.00069  -0.01018  -0.01089   3.13280
   D244      -0.00045  -0.00000   0.00087  -0.00083   0.00004  -0.00041
   D245       0.00178   0.00011  -0.00001   0.00513   0.00515   0.00693
   D246      -3.13932   0.00017  -0.00013   0.00785   0.00776  -3.13155
   D247      -3.13726  -0.00007  -0.00157  -0.00423  -0.00580   3.14012
   D248       0.00482  -0.00001  -0.00169  -0.00151  -0.00318   0.00164
   D249       0.00185   0.00007   0.00020   0.00465   0.00486   0.00671
   D250      -3.13913  -0.00004  -0.00129  -0.00274  -0.00403   3.14002
   D251      -3.13955   0.00010  -0.00041   0.00628   0.00589  -3.13366
   D252       0.00265  -0.00001  -0.00190  -0.00111  -0.00300  -0.00035
   D253       0.00524  -0.00020   0.00011  -0.00876  -0.00865  -0.00342
   D254       3.13996  -0.00010  -0.00085  -0.00769  -0.00854   3.13142
   D255      -3.13696  -0.00009   0.00160  -0.00138   0.00022  -3.13674
   D256      -0.00224   0.00001   0.00064  -0.00031   0.00033  -0.00190
   D257      -0.00579   0.00007  -0.00026   0.00016  -0.00013  -0.00592
   D258      -3.13975  -0.00019  -0.00128  -0.01312  -0.01437   3.12907
   D259      -3.14051  -0.00003   0.00070  -0.00095  -0.00029  -3.14079
   D260       0.00872  -0.00029  -0.00032  -0.01424  -0.01452  -0.00580
   D261      -0.00515   0.00004  -0.00002  -0.00031  -0.00038  -0.00553
   D262      -3.13927  -0.00006   0.00101  -0.00136  -0.00041  -3.13968
   D263      -3.13806  -0.00023  -0.00190  -0.01414  -0.01599   3.12914
   D264       0.01100  -0.00033  -0.00087  -0.01519  -0.01601  -0.00501
   D265       0.00685  -0.00024  -0.00019  -0.00974  -0.00993  -0.00308
   D266      -3.13554  -0.00009   0.00162  -0.00172  -0.00009  -3.13562
   D267       3.14099  -0.00014  -0.00122  -0.00873  -0.00995   3.13104
   D268      -0.00140   0.00000   0.00060  -0.00071  -0.00010  -0.00151
   D269      -0.00013   0.00013   0.00030   0.00591   0.00622   0.00610
   D270      -3.14067   0.00015   0.00008   0.00745   0.00756  -3.13312
   D271      -3.14092  -0.00002  -0.00152  -0.00212  -0.00364   3.13863
   D272       0.00172   0.00001  -0.00174  -0.00057  -0.00230  -0.00058
   D273       0.00245   0.00010   0.00018   0.00491   0.00510   0.00756
   D274      -3.14065  -0.00000  -0.00132  -0.00171  -0.00303   3.13950
   D275      -3.13787   0.00011  -0.00021   0.00614   0.00594  -3.13192
   D276       0.00222   0.00001  -0.00171  -0.00049  -0.00220   0.00002
   D277       0.00511  -0.00019  -0.00010  -0.00838  -0.00848  -0.00337
   D278       3.13792  -0.00009  -0.00095  -0.00709  -0.00804   3.12988
   D279      -3.13498  -0.00009   0.00140  -0.00176  -0.00035  -3.13533
   D280      -0.00216   0.00001   0.00056  -0.00047   0.00009  -0.00208
   D281      -0.00762   0.00004   0.00009  -0.00036  -0.00030  -0.00793
   D282       3.13805  -0.00017  -0.00150  -0.01177  -0.01323   3.12483
   D283      -3.14043  -0.00007   0.00094  -0.00170  -0.00079  -3.14122
   D284       0.00525  -0.00028  -0.00065  -0.01310  -0.01371  -0.00846
   D285      -0.00336   0.00005  -0.00022  -0.00018  -0.00044  -0.00381
   D286      -3.13826  -0.00005   0.00074  -0.00118  -0.00048  -3.13874
   D287      -3.13962  -0.00018  -0.00173  -0.01267  -0.01437   3.12919
   D288       0.00866  -0.00028  -0.00077  -0.01367  -0.01441  -0.00575
   D289       0.00424  -0.00021  -0.00012  -0.00893  -0.00905  -0.00480
   D290      -3.13667  -0.00010   0.00157  -0.00182  -0.00025  -3.13692
   D291       3.13915  -0.00011  -0.00108  -0.00796  -0.00904   3.13010
   D292      -0.00177  -0.00001   0.00061  -0.00086  -0.00025  -0.00202
   D293       0.00099   0.00010   0.00025   0.00508   0.00533   0.00633
   D294      -3.13860   0.00013   0.00003   0.00684   0.00689  -3.13171
   D295      -3.14128  -0.00001  -0.00145  -0.00203  -0.00348   3.13843
   D296       0.00231   0.00002  -0.00166  -0.00027  -0.00192   0.00039
         Item               Value     Threshold  Converged?
 Maximum Force            0.006805     0.000450     NO 
 RMS     Force            0.001034     0.000300     NO 
 Maximum Displacement     0.937587     0.001800     NO 
 RMS     Displacement     0.169969     0.001200     NO 
 Predicted change in Energy=-4.303362D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.038065    2.964825    0.191034
      2          6           0       -2.304538    1.604545    0.052339
      3          6           0       -1.274734    0.643433    0.044085
      4          6           0        0.064054    1.101451    0.139389
      5          6           0        0.326055    2.477852    0.273464
      6          6           0       -0.703435    3.400517    0.309542
      7          6           0       -1.547940   -0.793700   -0.082299
      8          6           0       -0.476385   -1.736956   -0.138499
      9          6           0        0.888851   -1.258500   -0.085502
     10          6           0        1.170930    0.151194    0.071971
     11          6           0       -2.860343   -1.290262   -0.117748
     12          6           0       -3.139997   -2.654505   -0.231931
     13          6           0       -2.073074   -3.569449   -0.290063
     14          6           0       -0.768278   -3.115874   -0.236856
     15          7           0        1.936187   -2.095729   -0.196604
     16          6           0        3.225198   -1.648080   -0.151344
     17          6           0        3.448014   -0.249852    0.034093
     18          7           0        2.412853    0.608717    0.146496
     19          6           0        4.319476   -2.538094   -0.288667
     20          6           0        5.596444   -2.028101   -0.234376
     21          6           0        5.841557   -0.633049   -0.057271
     22          6           0        4.776318    0.240126    0.072133
     23          7           0       -3.101469    3.899097    0.209930
     24          7           0       -4.478850   -3.097806   -0.280937
     25          7           0        7.171551   -0.163020   -0.000607
     26          6           0       -5.040129   -4.095748    0.527666
     27          6           0       -6.406826   -4.251986    0.177823
     28          6           0       -6.679061   -3.311670   -0.889193
     29          6           0       -5.468157   -2.616579   -1.146175
     30          6           0       -3.249626    4.978787   -0.666077
     31          6           0       -4.439173    5.679778   -0.333459
     32          6           0       -5.031740    4.988907    0.792803
     33          6           0       -4.179755    3.895053    1.100143
     34          6           0        7.728173    0.604652    1.030135
     35          6           0        9.088311    0.867102    0.720302
     36          6           0        9.360807    0.233362   -0.553342
     37          6           0        8.156116   -0.392587   -0.968114
     38          6           0       -7.821752   -3.021792   -1.643516
     39          6           0       -7.748846   -2.050582   -2.638368
     40          6           0       -6.540619   -1.376937   -2.889591
     41          6           0       -5.388399   -1.650534   -2.155179
     42          6           0       -4.467380   -4.847997    1.559364
     43          6           0       -5.276203   -5.768770    2.222609
     44          6           0       -6.629092   -5.938986    1.880250
     45          6           0       -7.199944   -5.180680    0.862175
     46          6           0       -6.181413    5.211000    1.560469
     47          6           0       -6.468643    4.349491    2.615535
     48          6           0       -5.611687    3.274426    2.912692
     49          6           0       -4.459614    3.034266    2.166768
     50          6           0       -2.446309    5.381479   -1.739010
     51          6           0       -2.842800    6.502731   -2.465224
     52          6           0       -4.014654    7.210324   -2.142861
     53          6           0       -4.817313    6.801343   -1.081563
     54          6           0       10.497876    0.159393   -1.366196
     55          6           0       10.424003   -0.531629   -2.572788
     56          6           0        9.221636   -1.139579   -2.974869
     57          6           0        8.074447   -1.076022   -2.186215
     58          6           0        7.153336    1.061449    2.220421
     59          6           0        7.955901    1.796489    3.090819
     60          6           0        9.302519    2.071456    2.793469
     61          6           0        9.874195    1.606268    1.612408
     62          1           0       -3.337348    1.307985   -0.068248
     63          1           0        1.354687    2.803476    0.360639
     64          1           0       -0.486216    4.454780    0.433532
     65          1           0       -3.700084   -0.615211   -0.035435
     66          1           0       -2.261549   -4.631403   -0.392685
     67          1           0        0.036806   -3.849458   -0.277353
     68          1           0        1.862725   -3.253632   -0.082733
     69          1           0        4.123788   -3.602464   -0.376282
     70          1           0        6.440892   -2.704050   -0.306611
     71          1           0        4.926663    1.305994    0.188991
     72          1           0       -8.751890   -3.549819   -1.456853
     73          1           0       -8.627274   -1.818372   -3.231674
     74          1           0       -6.497530   -0.631830   -3.677518
     75          1           0       -4.463054   -1.131319   -2.376729
     76          1           0       -3.430410   -4.726879    1.847300
     77          1           0       -4.849575   -6.362728    3.024619
     78          1           0       -7.233152   -6.661394    2.419531
     79          1           0       -8.247113   -5.305536    0.604036
     80          1           0       -6.839409    6.045086    1.336115
     81          1           0       -7.355916    4.511819    3.218919
     82          1           0       -5.846174    2.618311    3.744896
     83          1           0       -3.805162    2.207245    2.418356
     84          1           0       -1.546181    4.842642   -2.009879
     85          1           0       -2.234790    6.830848   -3.302447
     86          1           0       -4.298598    8.076461   -2.731859
     87          1           0       -5.725934    7.343881   -0.838652
     88          1           0       11.424381    0.636071   -1.060938
     89          1           0       11.298007   -0.594626   -3.212933
     90          1           0        9.179722   -1.664727   -3.923815
     91          1           0        7.153332   -1.538385   -2.521959
     92          1           0        6.120787    0.850223    2.472898
     93          1           0        7.529668    2.157954    4.021288
     94          1           0        9.901776    2.643089    3.494753
     95          1           0       10.916457    1.810882    1.387287
     96         17           0        2.017412   -4.882525    0.559876
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462936           0.0187491           0.0146725
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7839.9237437498 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.52D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999998    0.001228    0.001075   -0.001331 Ang=   0.24 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58435556     A.U. after   13 cycles
            NFock= 13  Conv=0.54D-08     -V/T= 2.0087
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.003549308   -0.000985344    0.000071371
      2        6          -0.000121679   -0.000266936    0.000885397
      3        6           0.000782957    0.003928568   -0.000191095
      4        6          -0.000801759   -0.000990488   -0.000134932
      5        6          -0.001714555    0.000003944   -0.000022211
      6        6          -0.000226835   -0.000480180   -0.000708544
      7        6           0.001589709   -0.005371716    0.000742874
      8        6          -0.002194851    0.000212756    0.000678841
      9        6           0.002291273    0.000787125   -0.001700139
     10        6           0.001834609   -0.002969279   -0.000374111
     11        6          -0.000994108   -0.000192267   -0.001217816
     12        6           0.002510362    0.002441616    0.000855196
     13        6           0.000448493   -0.000166689    0.000629535
     14        6           0.000485451   -0.000344713   -0.002497825
     15        7           0.003111006   -0.005713692    0.002735785
     16        6          -0.001900329   -0.000250006   -0.001403309
     17        6           0.002007575   -0.002060951   -0.000452806
     18        7          -0.002983542    0.002536475   -0.000552019
     19        6          -0.000456770    0.002143960    0.001452979
     20        6          -0.000182822   -0.001783254   -0.000765844
     21        6          -0.003247423   -0.000156367   -0.000460231
     22        6           0.001647367   -0.000482981    0.000624394
     23        7           0.003878993   -0.001690432   -0.000505034
     24        7           0.004829622    0.001685881    0.000791275
     25        7          -0.003228649   -0.002531185   -0.000217883
     26        6          -0.002432771   -0.006300147    0.001941606
     27        6           0.000829410    0.000714615    0.000504272
     28        6           0.001044031    0.000487586   -0.000394011
     29        6          -0.006473444    0.001115243   -0.002640591
     30        6          -0.002277705    0.005970422   -0.002448472
     31        6           0.000893229   -0.000802497   -0.000311754
     32        6           0.000979430   -0.000278244    0.000454343
     33        6          -0.006037502   -0.000970100    0.002305829
     34        6           0.001961234    0.005186511    0.003145142
     35        6          -0.000762188   -0.000688125    0.000258102
     36        6          -0.001054070   -0.000391548   -0.000276240
     37        6           0.005932668   -0.000374534   -0.002590787
     38        6           0.000592981    0.001167562   -0.000293674
     39        6           0.001447582    0.000225456    0.000328881
     40        6          -0.000984918   -0.001666932    0.000314795
     41        6           0.000582104   -0.000422883    0.000522413
     42        6           0.000005198    0.000963725   -0.000835543
     43        6          -0.001759024   -0.000066644   -0.000664288
     44        6           0.000856923    0.001209070   -0.000294391
     45        6           0.001143822    0.000093461    0.000355359
     46        6           0.000669961   -0.001130428    0.000370646
     47        6           0.001493717   -0.000189699   -0.000299412
     48        6          -0.001012306    0.001528898   -0.000535074
     49        6           0.000593979    0.000226121   -0.000595858
     50        6          -0.000460175   -0.000760589    0.000870807
     51        6          -0.001760575   -0.000007337    0.000503687
     52        6           0.000898436   -0.001145768    0.000367406
     53        6           0.001263177   -0.000057712   -0.000313442
     54        6          -0.000642649   -0.001069274   -0.000622012
     55        6          -0.001410183   -0.000296147    0.000374672
     56        6           0.000972889    0.001338444    0.000675035
     57        6          -0.000518892    0.000481381    0.000772637
     58        6           0.000182312   -0.000433657   -0.000700582
     59        6           0.001739644    0.000236516   -0.000534159
     60        6          -0.000846869   -0.001124552   -0.000558647
     61        6          -0.001240445   -0.000173931    0.000447939
     62        1          -0.000698416   -0.000386165    0.000193558
     63        1           0.000886851   -0.000332107   -0.000192374
     64        1          -0.001039576    0.000656353    0.000101059
     65        1          -0.000904432    0.000292580    0.000096482
     66        1          -0.001283689   -0.000514447    0.000080113
     67        1          -0.003570791    0.000999200    0.000592949
     68        1          -0.001702553    0.006685764    0.004852548
     69        1           0.000362779    0.000841535   -0.000206872
     70        1           0.000751589    0.000754365    0.000087175
     71        1           0.000187340    0.000534273    0.000077100
     72        1          -0.000007485   -0.000270268    0.000138082
     73        1          -0.000187947    0.000287229   -0.000024345
     74        1          -0.000098824    0.000294044   -0.000171723
     75        1           0.000564625   -0.000133090    0.000484671
     76        1           0.000795944    0.000830231   -0.000194764
     77        1           0.000297738    0.000004714    0.000072161
     78        1           0.000116425   -0.000278419    0.000017725
     79        1          -0.000250912    0.000152890   -0.000228267
     80        1          -0.000009977    0.000250012   -0.000127622
     81        1          -0.000131145   -0.000262551    0.000031792
     82        1          -0.000069614   -0.000243817    0.000160445
     83        1           0.000615649    0.000096450   -0.000497080
     84        1           0.000750675   -0.000724766    0.000411679
     85        1           0.000259711    0.000105998   -0.000109105
     86        1           0.000153406    0.000263997   -0.000027041
     87        1          -0.000222190   -0.000171388    0.000214016
     88        1          -0.000013833    0.000217626    0.000217958
     89        1           0.000143260   -0.000235641   -0.000093061
     90        1           0.000038249   -0.000211519   -0.000172391
     91        1          -0.000687867   -0.000116441    0.000416271
     92        1          -0.000385496   -0.000458025   -0.000531895
     93        1          -0.000188811    0.000096195    0.000159104
     94        1          -0.000167064    0.000242784    0.000072194
     95        1           0.000208208   -0.000073136   -0.000179278
     96       17           0.000165755    0.000907435   -0.003589745
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006685764 RMS     0.001590898

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005936894 RMS     0.000911724
 Search for a local minimum.
 Step number  10 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    9   10
 DE= -2.92D-03 DEPred=-4.30D-03 R= 6.79D-01
 TightC=F SS=  1.41D+00  RLast= 5.34D-01 DXNew= 5.0454D+00 1.6035D+00
 Trust test= 6.79D-01 RLast= 5.34D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00967   0.01846   0.02558   0.02706   0.02711
     Eigenvalues ---    0.02724   0.02733   0.02745   0.02747   0.02751
     Eigenvalues ---    0.02755   0.02768   0.02770   0.02780   0.02782
     Eigenvalues ---    0.02788   0.02791   0.02793   0.02793   0.02794
     Eigenvalues ---    0.02797   0.02811   0.02816   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02825   0.02830
     Eigenvalues ---    0.02833   0.02835   0.02839   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02850   0.02855
     Eigenvalues ---    0.02856   0.02861   0.02867   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02874
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02882   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02893   0.02894   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02898   0.02900   0.02908   0.02908
     Eigenvalues ---    0.02909   0.02930   0.02939   0.02941   0.02943
     Eigenvalues ---    0.02978   0.03021   0.03026   0.03046   0.03100
     Eigenvalues ---    0.03127   0.03128   0.03135   0.03138   0.03149
     Eigenvalues ---    0.03282   0.03438   0.04058   0.04731   0.14132
     Eigenvalues ---    0.15512   0.15889   0.15974   0.15997   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16004
     Eigenvalues ---    0.16023   0.16063   0.16147   0.18947   0.21881
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22322   0.22370   0.22435   0.22463   0.22600
     Eigenvalues ---    0.22602   0.22603   0.22604   0.22636   0.22784
     Eigenvalues ---    0.23488   0.23509   0.23841   0.24204   0.24487
     Eigenvalues ---    0.24489   0.24520   0.24531   0.24542   0.24567
     Eigenvalues ---    0.24625   0.24660   0.24892   0.24977   0.24982
     Eigenvalues ---    0.24982   0.24986   0.24987   0.24989   0.24990
     Eigenvalues ---    0.24996   0.24998   0.25000   0.25003   0.25010
     Eigenvalues ---    0.25056   0.25374   0.26693   0.28806   0.30858
     Eigenvalues ---    0.33238   0.33242   0.33248   0.33253   0.33255
     Eigenvalues ---    0.33256   0.33286   0.33321   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33396   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33681
     Eigenvalues ---    0.33808   0.33845   0.33863   0.33882   0.33890
     Eigenvalues ---    0.33903   0.33908   0.33937   0.33953   0.34317
     Eigenvalues ---    0.34362   0.34781   0.35975   0.44446   0.44464
     Eigenvalues ---    0.44642   0.45192   0.46933   0.48240   0.48956
     Eigenvalues ---    0.48977   0.48988   0.49621   0.49743   0.50148
     Eigenvalues ---    0.50333   0.50383   0.50412   0.50596   0.50620
     Eigenvalues ---    0.50649   0.50909   0.52646   0.52817   0.53337
     Eigenvalues ---    0.54082   0.54102   0.54196   0.54203   0.54213
     Eigenvalues ---    0.54647   0.54740   0.54889   0.55043   0.55433
     Eigenvalues ---    0.55495   0.55601   0.55726   0.55902   0.55922
     Eigenvalues ---    0.55953   0.56126   0.56136   0.56147   0.56241
     Eigenvalues ---    0.56439   0.56584   0.56664   0.56664   0.56666
     Eigenvalues ---    0.56679   0.56695   0.56707   0.56716   0.56847
     Eigenvalues ---    0.56902   0.56910   0.57103   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57179   0.59533   0.61956
     Eigenvalues ---    0.62294   0.64197   0.65974   0.66062   0.67594
     Eigenvalues ---    0.67725   0.68079   0.69780   0.69933   0.70102
     Eigenvalues ---    0.73978   0.76278
 RFO step:  Lambda=-3.81565047D-03 EMin= 9.66858773D-03
 Quartic linear search produced a step of -0.11322.
 Iteration  1 RMS(Cart)=  0.07488881 RMS(Int)=  0.00272112
 Iteration  2 RMS(Cart)=  0.00287851 RMS(Int)=  0.00094674
 Iteration  3 RMS(Cart)=  0.00001315 RMS(Int)=  0.00094672
 Iteration  4 RMS(Cart)=  0.00000020 RMS(Int)=  0.00094672
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63250  -0.00101  -0.00079   0.00105   0.00026   2.63276
    R2        2.66251  -0.00213  -0.00069  -0.00114  -0.00182   2.66068
    R3        2.67518  -0.00041  -0.00012   0.00356   0.00343   2.67861
    R4        2.66197  -0.00141  -0.00027  -0.00055  -0.00083   2.66114
    R5        2.04334   0.00076   0.00036   0.00018   0.00054   2.04388
    R6        2.67996  -0.00270  -0.00149   0.00046  -0.00107   2.67889
    R7        2.77472   0.00088  -0.00024   0.00522   0.00493   2.77965
    R8        2.65982  -0.00027   0.00020  -0.00085  -0.00065   2.65916
    R9        2.75972  -0.00144  -0.00005  -0.00067  -0.00071   2.75900
   R10        2.61334  -0.00101  -0.00027  -0.00067  -0.00093   2.61240
   R11        2.04555   0.00057  -0.00001   0.00225   0.00224   2.04778
   R12        2.04757   0.00069   0.00036   0.00082   0.00118   2.04875
   R13        2.69981  -0.00102  -0.00032   0.00030  -0.00004   2.69977
   R14        2.65251  -0.00094  -0.00078   0.00240   0.00163   2.65415
   R15        2.73560   0.00404  -0.00046   0.01197   0.01155   2.74715
   R16        2.67000   0.00021   0.00072  -0.00175  -0.00105   2.66895
   R17        2.73299  -0.00086  -0.00008  -0.00026  -0.00036   2.73263
   R18        2.54251  -0.00032   0.00145  -0.00705  -0.00522   2.53729
   R19        2.50505  -0.00135  -0.00097   0.00218   0.00078   2.50583
   R20        2.64049  -0.00267  -0.00043  -0.00382  -0.00424   2.63625
   R21        2.04198   0.00095   0.00036   0.00087   0.00123   2.04321
   R22        2.65829  -0.00201  -0.00124   0.00069  -0.00056   2.65774
   R23        2.66675  -0.00081  -0.00018   0.00291   0.00272   2.66948
   R24        2.61237  -0.00077   0.00031  -0.00263  -0.00233   2.61004
   R25        2.04737   0.00043   0.00032   0.00019   0.00051   2.04787
   R26        2.05967  -0.00361  -0.00010  -0.01216  -0.01226   2.04741
   R27        2.58000  -0.00099  -0.00016   0.00095   0.00120   2.58121
   R28        2.20305  -0.00594  -0.00850   0.02330   0.02660   2.22965
   R29        5.45902  -0.00221   0.01136  -0.07218  -0.07273   5.38629
   R30        2.69846  -0.00103  -0.00176   0.00688   0.00525   2.70370
   R31        2.67810  -0.00076  -0.00077   0.00373   0.00303   2.68113
   R32        2.55031   0.00040  -0.00025   0.00302   0.00242   2.55273
   R33        2.67643  -0.00015  -0.00029   0.00244   0.00216   2.67859
   R34        2.60048  -0.00142  -0.00016  -0.00191  -0.00208   2.59839
   R35        2.05177  -0.00080  -0.00009  -0.00189  -0.00198   2.04979
   R36        2.69749  -0.00097  -0.00062   0.00120   0.00051   2.69800
   R37        2.04860   0.00035   0.00011   0.00081   0.00092   2.04952
   R38        2.61433  -0.00233  -0.00046  -0.00356  -0.00409   2.61024
   R39        2.66781  -0.00017  -0.00032   0.00453   0.00420   2.67201
   R40        2.04609   0.00052   0.00021   0.00073   0.00094   2.04703
   R41        2.64229   0.00198  -0.00119   0.00923   0.00804   2.65032
   R42        2.64237   0.00241  -0.00070   0.00812   0.00742   2.64979
   R43        2.64883   0.00180  -0.00098   0.00812   0.00714   2.65597
   R44        2.64490   0.00313  -0.00090   0.01017   0.00927   2.65418
   R45        2.64668   0.00237  -0.00063   0.00781   0.00717   2.65385
   R46        2.64436   0.00230  -0.00096   0.00887   0.00792   2.65228
   R47        2.68225  -0.00183  -0.00101   0.00097  -0.00004   2.68221
   R48        2.64448  -0.00213  -0.00075  -0.00107  -0.00182   2.64266
   R49        2.73641   0.00098  -0.00051   0.00454   0.00402   2.74043
   R50        2.64551  -0.00091  -0.00002  -0.00097  -0.00100   2.64452
   R51        2.68280  -0.00176  -0.00072   0.00053  -0.00019   2.68261
   R52        2.64479  -0.00063  -0.00006  -0.00025  -0.00031   2.64448
   R53        2.64406  -0.00170  -0.00053  -0.00091  -0.00143   2.64263
   R54        2.68384  -0.00181  -0.00098   0.00112   0.00014   2.68398
   R55        2.64471  -0.00219  -0.00080  -0.00090  -0.00170   2.64302
   R56        2.73645   0.00087  -0.00058   0.00462   0.00404   2.74049
   R57        2.64599  -0.00088  -0.00010  -0.00057  -0.00067   2.64532
   R58        2.68371  -0.00184  -0.00079   0.00062  -0.00017   2.68354
   R59        2.64588  -0.00071  -0.00003  -0.00051  -0.00054   2.64534
   R60        2.64357  -0.00175  -0.00047  -0.00128  -0.00174   2.64182
   R61        2.68238  -0.00172  -0.00092   0.00120   0.00028   2.68266
   R62        2.64283  -0.00174  -0.00066  -0.00050  -0.00116   2.64167
   R63        2.73720   0.00079  -0.00059   0.00452   0.00393   2.74113
   R64        2.64550  -0.00074  -0.00005  -0.00047  -0.00052   2.64499
   R65        2.68257  -0.00177  -0.00087   0.00084  -0.00003   2.68254
   R66        2.64503  -0.00072  -0.00010  -0.00030  -0.00040   2.64463
   R67        2.64394  -0.00184  -0.00064  -0.00078  -0.00142   2.64252
   R68        2.63093  -0.00043  -0.00019   0.00011  -0.00009   2.63084
   R69        2.05174   0.00021   0.00004   0.00070   0.00074   2.05247
   R70        2.65688  -0.00139  -0.00033  -0.00073  -0.00106   2.65582
   R71        2.05065   0.00018   0.00012   0.00017   0.00029   2.05095
   R72        2.63332  -0.00015  -0.00029   0.00129   0.00100   2.63432
   R73        2.05091   0.00033  -0.00000   0.00143   0.00143   2.05234
   R74        2.04836   0.00024   0.00013  -0.00001   0.00012   2.04848
   R75        2.63338  -0.00046  -0.00030   0.00075   0.00045   2.63383
   R76        2.04657   0.00093   0.00042   0.00126   0.00168   2.04824
   R77        2.65672  -0.00101  -0.00020  -0.00034  -0.00054   2.65618
   R78        2.05104   0.00020  -0.00003   0.00107   0.00104   2.05208
   R79        2.63030  -0.00030  -0.00018   0.00046   0.00028   2.63058
   R80        2.05067   0.00018   0.00012   0.00017   0.00029   2.05096
   R81        2.05171   0.00024   0.00004   0.00082   0.00086   2.05257
   R82        2.63063  -0.00044  -0.00027   0.00042   0.00015   2.63078
   R83        2.05189   0.00019   0.00003   0.00069   0.00072   2.05261
   R84        2.65803  -0.00138  -0.00033  -0.00069  -0.00102   2.65702
   R85        2.05075   0.00014   0.00011   0.00009   0.00020   2.05095
   R86        2.63300  -0.00029  -0.00032   0.00118   0.00086   2.63386
   R87        2.05106   0.00029  -0.00002   0.00134   0.00132   2.05238
   R88        2.04891   0.00028   0.00009   0.00030   0.00039   2.04930
   R89        2.63330  -0.00043  -0.00033   0.00091   0.00058   2.63388
   R90        2.04750   0.00082   0.00047   0.00055   0.00102   2.04852
   R91        2.65763  -0.00119  -0.00025  -0.00049  -0.00075   2.65689
   R92        2.05127   0.00026  -0.00002   0.00123   0.00121   2.05248
   R93        2.63065  -0.00034  -0.00015   0.00025   0.00010   2.63074
   R94        2.05080   0.00014   0.00011   0.00012   0.00022   2.05102
   R95        2.05185   0.00020   0.00004   0.00072   0.00075   2.05260
   R96        2.63129  -0.00046  -0.00020   0.00019  -0.00001   2.63128
   R97        2.05174   0.00019   0.00003   0.00070   0.00073   2.05247
   R98        2.65704  -0.00133  -0.00033  -0.00047  -0.00081   2.65623
   R99        2.05071   0.00014   0.00011   0.00013   0.00023   2.05095
   R100       2.63348  -0.00027  -0.00029   0.00110   0.00081   2.63429
   R101       2.05106   0.00025  -0.00002   0.00124   0.00122   2.05228
   R102       2.04838   0.00043   0.00027   0.00011   0.00038   2.04876
   R103       2.63343  -0.00035  -0.00033   0.00111   0.00079   2.63422
   R104       2.04799   0.00042   0.00030  -0.00010   0.00020   2.04819
   R105       2.65734  -0.00134  -0.00031  -0.00067  -0.00097   2.65636
   R106       2.05112   0.00025  -0.00003   0.00127   0.00124   2.05236
   R107       2.63081  -0.00050  -0.00025   0.00029   0.00004   2.63084
   R108       2.05074   0.00013   0.00010   0.00013   0.00023   2.05097
   R109       2.05177   0.00019   0.00003   0.00071   0.00074   2.05252
   R110       3.32193   0.00046   0.01588  -0.17916  -0.15136   3.17056
    A1        2.08464   0.00169   0.00059   0.00747   0.00806   2.09270
    A2        2.09679  -0.00050   0.00052  -0.00395  -0.00343   2.09336
    A3        2.10175  -0.00119  -0.00111  -0.00351  -0.00463   2.09713
    A4        2.12584  -0.00114  -0.00035  -0.00582  -0.00618   2.11967
    A5        2.05062   0.00055  -0.00059   0.00501   0.00444   2.05507
    A6        2.10656   0.00059   0.00095   0.00074   0.00171   2.10827
    A7        2.05939   0.00030  -0.00015   0.00152   0.00139   2.06078
    A8        2.13209  -0.00043   0.00003  -0.00101  -0.00092   2.13116
    A9        2.09156   0.00014   0.00013  -0.00058  -0.00053   2.09103
   A10        2.09203   0.00043   0.00078   0.00033   0.00110   2.09313
   A11        2.09700   0.00061  -0.00057   0.00305   0.00245   2.09945
   A12        2.09395  -0.00103  -0.00023  -0.00324  -0.00345   2.09051
   A13        2.11338  -0.00015  -0.00080   0.00192   0.00112   2.11450
   A14        2.07000  -0.00069   0.00010  -0.00668  -0.00658   2.06342
   A15        2.09973   0.00084   0.00070   0.00473   0.00543   2.10516
   A16        2.09054  -0.00112  -0.00009  -0.00534  -0.00542   2.08512
   A17        2.09487  -0.00048  -0.00130  -0.00108  -0.00237   2.09249
   A18        2.09776   0.00160   0.00137   0.00639   0.00776   2.10553
   A19        2.10602   0.00010   0.00059  -0.00154  -0.00102   2.10500
   A20        2.12045  -0.00227  -0.00117  -0.00500  -0.00613   2.11432
   A21        2.05637   0.00217   0.00057   0.00676   0.00733   2.06370
   A22        2.08024  -0.00044  -0.00069   0.00226   0.00161   2.08185
   A23        2.08534  -0.00216   0.00018  -0.00802  -0.00791   2.07743
   A24        2.11758   0.00259   0.00048   0.00583   0.00631   2.12389
   A25        2.10609  -0.00138  -0.00025  -0.00326  -0.00387   2.10222
   A26        2.12403   0.00312   0.00249  -0.00007   0.00194   2.12597
   A27        2.05298  -0.00174  -0.00230   0.00342   0.00198   2.05496
   A28        2.08455   0.00100   0.00053   0.00159   0.00215   2.08669
   A29        2.07477  -0.00365  -0.00157  -0.00752  -0.00915   2.06562
   A30        2.12383   0.00265   0.00102   0.00598   0.00703   2.13086
   A31        2.13482  -0.00160  -0.00071  -0.00643  -0.00714   2.12768
   A32        2.09865   0.00092   0.00129   0.00129   0.00259   2.10124
   A33        2.04951   0.00068  -0.00056   0.00503   0.00448   2.05398
   A34        2.07901   0.00144   0.00063   0.00540   0.00601   2.08501
   A35        2.09373   0.00027   0.00015   0.00105   0.00121   2.09494
   A36        2.11044  -0.00171  -0.00079  -0.00643  -0.00721   2.10323
   A37        2.09541  -0.00039   0.00055  -0.00529  -0.00476   2.09065
   A38        2.10540  -0.00114  -0.00141  -0.00362  -0.00499   2.10041
   A39        2.08225   0.00153   0.00085   0.00877   0.00966   2.09191
   A40        2.11517   0.00054  -0.00122   0.00761   0.00642   2.12159
   A41        2.10233   0.00058   0.00049   0.00080   0.00139   2.10372
   A42        2.06567  -0.00112   0.00050  -0.00848  -0.00787   2.05780
   A43        2.12725   0.00001   0.00068  -0.00384  -0.00513   2.12212
   A44        2.16631  -0.00104  -0.00750   0.02435   0.02011   2.18642
   A45        2.21500   0.00254  -0.00393   0.05854   0.04819   2.26319
   A46        1.96266   0.00056   0.00124  -0.01415  -0.01291   1.94975
   A47        1.85571  -0.00084  -0.00008   0.01457   0.01019   1.86590
   A48        2.06313   0.00113   0.00052   0.00216   0.00355   2.06667
   A49        2.11751  -0.00009  -0.00172   0.00716   0.00482   2.12234
   A50        2.10254  -0.00105   0.00119  -0.00933  -0.00838   2.09416
   A51        2.11071  -0.00050  -0.00077   0.00137   0.00069   2.11140
   A52        2.08126   0.00063  -0.00035   0.00481   0.00455   2.08581
   A53        2.09099  -0.00013   0.00111  -0.00609  -0.00517   2.08582
   A54        2.08789  -0.00154   0.00055  -0.00854  -0.00840   2.07949
   A55        2.07139   0.00096  -0.00064   0.00668   0.00618   2.07757
   A56        2.07636  -0.00006  -0.00001  -0.00161  -0.00171   2.07465
   A57        2.13381  -0.00089   0.00048  -0.00420  -0.00382   2.12999
   A58        2.12519  -0.00084  -0.00041  -0.00291  -0.00330   2.12189
   A59        2.08188   0.00146   0.00124   0.00676   0.00800   2.08988
   A60        2.07588  -0.00061  -0.00082  -0.00381  -0.00464   2.07125
   A61        2.09004   0.00103   0.00066   0.00337   0.00398   2.09402
   A62        2.08534  -0.00110  -0.00026  -0.00507  -0.00530   2.08003
   A63        2.10774   0.00007  -0.00042   0.00170   0.00131   2.10905
   A64        2.09588  -0.00073  -0.00048  -0.00260  -0.00303   2.09285
   A65        2.06427   0.00061   0.00123   0.00024   0.00146   2.06573
   A66        2.12293   0.00013  -0.00074   0.00226   0.00152   2.12444
   A67        2.19056   0.00041  -0.00106   0.00405   0.00299   2.19355
   A68        2.19674   0.00014   0.00100  -0.00249  -0.00149   2.19525
   A69        1.89588  -0.00056   0.00006  -0.00155  -0.00149   1.89439
   A70        2.19385  -0.00041  -0.00128   0.00173   0.00045   2.19430
   A71        2.19453   0.00106   0.00121   0.00005   0.00126   2.19579
   A72        1.89481  -0.00065   0.00006  -0.00177  -0.00171   1.89310
   A73        2.19746   0.00035   0.00037  -0.00011   0.00026   2.19771
   A74        2.19011   0.00029  -0.00040   0.00183   0.00143   2.19154
   A75        1.89561  -0.00065   0.00003  -0.00173  -0.00170   1.89391
   A76        1.89837  -0.00012   0.00013  -0.00039  -0.00026   1.89811
   A77        2.27067  -0.00203  -0.00164  -0.00384  -0.00548   2.26518
   A78        2.11371   0.00214   0.00153   0.00408   0.00561   2.11932
   A79        1.86624   0.00067  -0.00010   0.00150   0.00139   1.86763
   A80        2.09213  -0.00113  -0.00101  -0.00202  -0.00303   2.08910
   A81        2.32469   0.00047   0.00110   0.00062   0.00171   2.32639
   A82        1.86603   0.00053  -0.00006   0.00128   0.00122   1.86726
   A83        2.32560   0.00039   0.00083   0.00055   0.00137   2.32697
   A84        2.09143  -0.00092  -0.00079  -0.00176  -0.00255   2.08888
   A85        1.89932  -0.00043  -0.00004  -0.00062  -0.00066   1.89866
   A86        2.26908  -0.00102  -0.00082  -0.00275  -0.00357   2.26551
   A87        2.11438   0.00144   0.00089   0.00316   0.00405   2.11842
   A88        1.89985  -0.00031   0.00017  -0.00105  -0.00088   1.89897
   A89        2.26747  -0.00159  -0.00146  -0.00291  -0.00437   2.26310
   A90        2.11565   0.00189   0.00130   0.00386   0.00516   2.12081
   A91        1.86441   0.00068  -0.00011   0.00173   0.00162   1.86603
   A92        2.09027  -0.00111  -0.00094  -0.00225  -0.00319   2.08708
   A93        2.32842   0.00043   0.00103   0.00059   0.00162   2.33003
   A94        1.86534   0.00045  -0.00003   0.00083   0.00080   1.86613
   A95        2.32783   0.00055   0.00070   0.00183   0.00252   2.33035
   A96        2.08993  -0.00100  -0.00069  -0.00258  -0.00326   2.08666
   A97        1.89930  -0.00026  -0.00010   0.00005  -0.00005   1.89925
   A98        2.26721  -0.00134  -0.00066  -0.00456  -0.00522   2.26199
   A99        2.11640   0.00160   0.00078   0.00443   0.00521   2.12161
   A100       1.89813  -0.00025  -0.00006   0.00004  -0.00002   1.89812
   A101       2.26795  -0.00123  -0.00087  -0.00352  -0.00439   2.26356
   A102       2.11675   0.00148   0.00095   0.00335   0.00430   2.12106
   A103       1.86638   0.00054   0.00002   0.00075   0.00077   1.86716
   A104       2.09029  -0.00093  -0.00075  -0.00207  -0.00282   2.08747
   A105       2.32641   0.00039   0.00071   0.00138   0.00209   2.32850
   A106       1.86522   0.00064  -0.00008   0.00149   0.00141   1.86664
   A107       2.32760   0.00037   0.00082   0.00097   0.00179   2.32938
   A108       2.09027  -0.00100  -0.00076  -0.00240  -0.00316   2.08712
   A109       1.89942  -0.00028   0.00008  -0.00056  -0.00049   1.89894
   A110       2.26662  -0.00127  -0.00102  -0.00325  -0.00427   2.26235
   A111       2.11684   0.00154   0.00097   0.00369   0.00466   2.12151
   A112       2.07930   0.00012   0.00004   0.00055   0.00058   2.07988
   A113       2.10141  -0.00028   0.00049  -0.00384  -0.00335   2.09807
   A114       2.10247   0.00016  -0.00053   0.00329   0.00276   2.10523
   A115       2.10241   0.00018   0.00054  -0.00068  -0.00015   2.10227
   A116       2.09160   0.00008  -0.00033   0.00183   0.00151   2.09311
   A117       2.08912  -0.00026  -0.00020  -0.00116  -0.00136   2.08776
   A118       2.12037  -0.00022  -0.00064   0.00209   0.00145   2.12182
   A119       2.08609   0.00009  -0.00035   0.00127   0.00092   2.08701
   A120       2.07669   0.00013   0.00099  -0.00332  -0.00234   2.07436
   A121       2.05838  -0.00060  -0.00003  -0.00345  -0.00348   2.05490
   A122       2.12561  -0.00043  -0.00088  -0.00119  -0.00207   2.12354
   A123       2.09914   0.00103   0.00091   0.00458   0.00549   2.10463
   A124       2.05841  -0.00105  -0.00049  -0.00411  -0.00460   2.05382
   A125       2.12678  -0.00020  -0.00067  -0.00107  -0.00173   2.12505
   A126       2.09798   0.00125   0.00115   0.00516   0.00631   2.10430
   A127       2.12074  -0.00017  -0.00058   0.00204   0.00146   2.12220
   A128       2.07732  -0.00014   0.00075  -0.00414  -0.00340   2.07392
   A129       2.08512   0.00031  -0.00017   0.00212   0.00195   2.08707
   A130       2.10229   0.00031   0.00066  -0.00011   0.00056   2.10285
   A131       2.08892  -0.00028  -0.00027  -0.00116  -0.00142   2.08750
   A132       2.09194  -0.00003  -0.00039   0.00126   0.00087   2.09281
   A133       2.07900  -0.00010  -0.00012   0.00005  -0.00006   2.07894
   A134       2.10189  -0.00024   0.00051  -0.00388  -0.00337   2.09852
   A135       2.10228   0.00034  -0.00039   0.00382   0.00343   2.10571
   A136       2.07922   0.00008   0.00002   0.00045   0.00047   2.07970
   A137       2.10151  -0.00023   0.00049  -0.00362  -0.00313   2.09839
   A138       2.10245   0.00015  -0.00051   0.00316   0.00265   2.10510
   A139       2.10299   0.00024   0.00050  -0.00016   0.00034   2.10332
   A140       2.09155   0.00004  -0.00030   0.00148   0.00118   2.09273
   A141       2.08862  -0.00028  -0.00020  -0.00132  -0.00152   2.08711
   A142       2.12046  -0.00024  -0.00061   0.00184   0.00123   2.12169
   A143       2.08564   0.00011  -0.00033   0.00129   0.00096   2.08659
   A144       2.07707   0.00013   0.00094  -0.00310  -0.00217   2.07490
   A145       2.05731  -0.00069  -0.00000  -0.00402  -0.00402   2.05329
   A146       2.12412  -0.00042  -0.00070  -0.00195  -0.00264   2.12148
   A147       2.10174   0.00111   0.00069   0.00594   0.00664   2.10837
   A148       2.05753  -0.00078  -0.00025  -0.00380  -0.00405   2.05348
   A149       2.12400  -0.00039  -0.00091  -0.00106  -0.00197   2.12203
   A150       2.10163   0.00117   0.00116   0.00484   0.00600   2.10763
   A151       2.12055  -0.00026  -0.00068   0.00194   0.00126   2.12181
   A152       2.07808   0.00001   0.00087  -0.00366  -0.00279   2.07529
   A153       2.08453   0.00025  -0.00019   0.00174   0.00155   2.08608
   A154       2.10294   0.00025   0.00061  -0.00020   0.00041   2.10335
   A155       2.08883  -0.00029  -0.00025  -0.00134  -0.00159   2.08723
   A156       2.09139   0.00004  -0.00036   0.00155   0.00119   2.09258
   A157       2.07938   0.00001  -0.00006   0.00041   0.00036   2.07974
   A158       2.10215  -0.00030   0.00045  -0.00391  -0.00346   2.09870
   A159       2.10165   0.00029  -0.00039   0.00349   0.00310   2.10474
   A160       2.07872   0.00013  -0.00002   0.00074   0.00072   2.07944
   A161       2.10221  -0.00030   0.00048  -0.00391  -0.00343   2.09878
   A162       2.10225   0.00017  -0.00046   0.00317   0.00271   2.10497
   A163       2.10337   0.00021   0.00055  -0.00035   0.00019   2.10356
   A164       2.09122   0.00006  -0.00035   0.00170   0.00135   2.09257
   A165       2.08856  -0.00027  -0.00019  -0.00135  -0.00154   2.08702
   A166       2.12046  -0.00028  -0.00065   0.00172   0.00107   2.12152
   A167       2.08547   0.00018  -0.00024   0.00148   0.00124   2.08670
   A168       2.07723   0.00011   0.00089  -0.00317  -0.00228   2.07495
   A169       2.05661  -0.00059  -0.00008  -0.00347  -0.00355   2.05307
   A170       2.12661  -0.00041  -0.00084  -0.00118  -0.00202   2.12459
   A171       2.09993   0.00100   0.00092   0.00462   0.00555   2.10548
   A172       2.05686  -0.00063  -0.00007  -0.00348  -0.00354   2.05332
   A173       2.12495  -0.00038  -0.00071  -0.00161  -0.00233   2.12263
   A174       2.10133   0.00101   0.00078   0.00507   0.00585   2.10719
   A175       2.12067  -0.00022  -0.00063   0.00189   0.00125   2.12192
   A176       2.07708   0.00007   0.00085  -0.00311  -0.00226   2.07482
   A177       2.08542   0.00015  -0.00022   0.00125   0.00103   2.08645
   A178       2.10284   0.00022   0.00052  -0.00030   0.00022   2.10305
   A179       2.08882  -0.00027  -0.00021  -0.00120  -0.00141   2.08741
   A180       2.09150   0.00004  -0.00030   0.00150   0.00120   2.09270
   A181       2.07891   0.00008  -0.00002   0.00056   0.00054   2.07945
   A182       2.10164  -0.00025   0.00043  -0.00346  -0.00302   2.09862
   A183       2.10264   0.00017  -0.00042   0.00290   0.00248   2.10511
    D1        0.01454  -0.00000   0.00041  -0.00061  -0.00018   0.01435
    D2       -3.10785  -0.00013  -0.00308   0.00392   0.00087  -3.10698
    D3       -3.12904   0.00005   0.00029   0.00059   0.00087  -3.12817
    D4        0.03175  -0.00008  -0.00320   0.00512   0.00193   0.03368
    D5        0.01141   0.00001  -0.00011  -0.00048  -0.00060   0.01081
    D6       -3.12478   0.00003  -0.00260   0.00637   0.00373  -3.12106
    D7       -3.12819  -0.00004   0.00002  -0.00168  -0.00166  -3.12985
    D8        0.01880  -0.00002  -0.00248   0.00517   0.00266   0.02147
    D9       -2.14054  -0.00106   0.00865  -0.02956  -0.02089  -2.16144
   D10        0.99590  -0.00100   0.00859  -0.02652  -0.01792   0.97798
   D11        0.99904  -0.00101   0.00853  -0.02834  -0.01982   0.97922
   D12       -2.14770  -0.00094   0.00847  -0.02530  -0.01685  -2.16455
   D13       -0.03446   0.00004  -0.00014   0.00274   0.00262  -0.03183
   D14        3.12598   0.00002  -0.00143   0.00724   0.00592   3.13189
   D15        3.08733   0.00017   0.00347  -0.00189   0.00156   3.08889
   D16       -0.03542   0.00015   0.00218   0.00261   0.00485  -0.03057
   D17        0.02901  -0.00008  -0.00042  -0.00377  -0.00425   0.02476
   D18       -3.09130  -0.00023   0.00056  -0.01125  -0.01072  -3.10202
   D19       -3.13097  -0.00007   0.00084  -0.00817  -0.00747  -3.13844
   D20        0.03191  -0.00022   0.00182  -0.01565  -0.01394   0.01797
   D21        3.09953   0.00015  -0.00094   0.01043   0.00946   3.10899
   D22       -0.07059   0.00035  -0.00151   0.01978   0.01821  -0.05239
   D23       -0.02289   0.00013  -0.00226   0.01499   0.01279  -0.01010
   D24        3.09018   0.00033  -0.00283   0.02434   0.02154   3.11172
   D25       -0.00420   0.00013   0.00073   0.00298   0.00376  -0.00044
   D26        3.12451   0.00008   0.00102   0.00055   0.00160   3.12611
   D27        3.11615   0.00030  -0.00025   0.01052   0.01027   3.12642
   D28       -0.03832   0.00024   0.00004   0.00810   0.00811  -0.03021
   D29       -0.00559  -0.00009   0.00159  -0.01026  -0.00877  -0.01436
   D30        3.12664  -0.00005   0.00024  -0.00466  -0.00485   3.12179
   D31       -3.12588  -0.00025   0.00255  -0.01780  -0.01529  -3.14117
   D32        0.00635  -0.00021   0.00120  -0.01220  -0.01137  -0.00502
   D33       -0.01643  -0.00008  -0.00046  -0.00073  -0.00121  -0.01764
   D34        3.11975  -0.00010   0.00207  -0.00761  -0.00560   3.11415
   D35        3.13826  -0.00002  -0.00075   0.00182   0.00109   3.13936
   D36       -0.00874  -0.00004   0.00178  -0.00506  -0.00329  -0.01203
   D37       -0.01287   0.00031  -0.00080   0.01205   0.01135  -0.00153
   D38        3.12252   0.00042  -0.00295   0.02514   0.02217  -3.13849
   D39       -3.12696   0.00019  -0.00021   0.00322   0.00306  -3.12390
   D40        0.00843   0.00030  -0.00236   0.01631   0.01389   0.02232
   D41       -3.13682  -0.00018   0.00232  -0.01526  -0.01295   3.13342
   D42       -0.01752  -0.00026   0.00476  -0.02138  -0.01664  -0.03416
   D43       -0.02298  -0.00001   0.00177  -0.00629  -0.00453  -0.02750
   D44        3.09633  -0.00009   0.00420  -0.01241  -0.00822   3.08811
   D45        0.03954  -0.00069   0.00423  -0.03849  -0.03442   0.00513
   D46       -3.08716  -0.00075   0.00677  -0.04576  -0.03902  -3.12619
   D47       -3.09573  -0.00078   0.00643  -0.05178  -0.04549  -3.14122
   D48        0.06075  -0.00084   0.00897  -0.05905  -0.05009   0.01065
   D49        0.00870  -0.00036   0.00136  -0.01554  -0.01412  -0.00541
   D50       -3.13792   0.00019   0.00975  -0.03194  -0.02215   3.12311
   D51       -3.13922  -0.00026  -0.00085  -0.00217  -0.00304   3.14092
   D52       -0.00266   0.00029   0.00754  -0.01857  -0.01108  -0.01374
   D53       -0.03063   0.00056  -0.00469   0.03779   0.03327   0.00264
   D54        3.12060   0.00055  -0.00327   0.03210   0.02929  -3.13330
   D55        3.09667   0.00066  -0.00703   0.04474   0.03770   3.13437
   D56       -0.03529   0.00065  -0.00561   0.03906   0.03371  -0.00157
   D57        3.13795  -0.00068   0.00576  -0.04489  -0.03928   3.09867
   D58       -0.26992  -0.00286  -0.01367  -0.01618  -0.03097  -0.30089
   D59       -0.49606   0.00374  -0.00252   0.14710   0.14724  -0.34882
   D60        0.01080  -0.00074   0.00819  -0.05189  -0.04372  -0.03291
   D61        2.88612  -0.00292  -0.01124  -0.02318  -0.03541   2.85072
   D62        2.65998   0.00368  -0.00009   0.14009   0.14280   2.80278
   D63       -3.09720  -0.00027   0.00177  -0.01101  -0.00899  -3.10620
   D64        0.03480  -0.00025   0.00038  -0.00531  -0.00499   0.02981
   D65        0.02009  -0.00020  -0.00011  -0.00487  -0.00500   0.01509
   D66       -3.12676  -0.00019  -0.00156   0.00024  -0.00132  -3.12808
   D67       -3.09981  -0.00012  -0.00248   0.00113  -0.00139  -3.10120
   D68        0.03653  -0.00012  -0.00394   0.00623   0.00229   0.03882
   D69       -0.00214   0.00010  -0.00097   0.00589   0.00493   0.00279
   D70       -3.12644  -0.00009  -0.00560   0.01532   0.00970  -3.11675
   D71       -3.13843   0.00009   0.00049   0.00071   0.00121  -3.13722
   D72        0.02046  -0.00010  -0.00414   0.01014   0.00597   0.02643
   D73       -2.24041  -0.00088   0.01011  -0.03675  -0.02663  -2.26704
   D74        0.90312  -0.00085   0.01058  -0.03619  -0.02560   0.87752
   D75        0.89583  -0.00087   0.00865  -0.03151  -0.02287   0.87296
   D76       -2.24382  -0.00084   0.00911  -0.03095  -0.02184  -2.26566
   D77       -0.01198   0.00016   0.00032   0.00424   0.00460  -0.00738
   D78        3.13454  -0.00039  -0.00789   0.02028   0.01241  -3.13623
   D79        3.11255   0.00032   0.00493  -0.00519  -0.00028   3.11227
   D80       -0.02411  -0.00023  -0.00329   0.01085   0.00753  -0.01658
   D81        0.01181   0.00038  -0.00566   0.03169   0.02598   0.03779
   D82       -3.12572   0.00028  -0.00715   0.03584   0.02845  -3.09727
   D83       -2.89184   0.00254   0.01373   0.00074   0.01413  -2.87770
   D84        0.25382   0.00245   0.01224   0.00490   0.01660   0.27042
   D85       -2.72493  -0.00407   0.00234  -0.13867  -0.13417  -2.85910
   D86        0.42072  -0.00417   0.00085  -0.13452  -0.13170   0.28903
   D87       -0.01288   0.00006   0.00000   0.00414   0.00436  -0.00851
   D88       -3.13160   0.00007   0.00053   0.00021   0.00070  -3.13090
   D89        3.12469   0.00015   0.00149   0.00007   0.00197   3.12666
   D90        0.00596   0.00016   0.00202  -0.00387  -0.00169   0.00427
   D91       -3.14139   0.00002   0.00039  -0.00110  -0.00067   3.14113
   D92       -0.05961   0.00014  -0.00224   0.01480   0.01267  -0.04694
   D93        0.00436  -0.00008  -0.00113   0.00312   0.00181   0.00616
   D94        3.08614   0.00004  -0.00377   0.01902   0.01515   3.10128
   D95       -0.01066  -0.00007   0.00250  -0.01625  -0.01391  -0.02457
   D96        3.10794  -0.00007   0.00194  -0.01215  -0.01012   3.09782
   D97       -0.01022  -0.00010  -0.00138   0.00251   0.00110  -0.00913
   D98        3.11570  -0.00004   0.00178  -0.00401  -0.00221   3.11349
   D99       -3.12921  -0.00009  -0.00083  -0.00147  -0.00259  -3.13180
   D100      -0.00329  -0.00002   0.00234  -0.00800  -0.00590  -0.00918
   D101      -0.01063  -0.00005  -0.00038  -0.00099  -0.00129  -0.01192
   D102       3.10783   0.00003   0.00097   0.00099   0.00203   3.10986
   D103      -3.09033  -0.00020   0.00237  -0.01755  -0.01517  -3.10550
   D104       0.02812  -0.00013   0.00373  -0.01557  -0.01184   0.01628
   D105       0.00646   0.00010   0.00101  -0.00037   0.00068   0.00713
   D106       3.13516  -0.00001  -0.00001  -0.00030  -0.00033   3.13482
   D107      -3.11207  -0.00000  -0.00036  -0.00248  -0.00278  -3.11485
   D108       0.01663  -0.00011  -0.00138  -0.00241  -0.00378   0.01284
   D109       0.00425  -0.00003  -0.00009  -0.00045  -0.00060   0.00365
   D110      -3.12113  -0.00010  -0.00335   0.00631   0.00282  -3.11831
   D111      -3.12428   0.00009   0.00094  -0.00048   0.00047  -3.12381
   D112       0.03352   0.00002  -0.00231   0.00629   0.00390   0.03742
   D113      -2.18545  -0.00093   0.00984  -0.03437  -0.02450  -2.20995
   D114       0.95234  -0.00095   0.01044  -0.03737  -0.02690   0.92544
   D115       0.94311  -0.00103   0.00882  -0.03429  -0.02550   0.91762
   D116      -2.20228  -0.00105   0.00942  -0.03729  -0.02789  -2.23018
   D117       3.13836   0.00000  -0.00041   0.00109   0.00068   3.13904
   D118       0.01924   0.00010  -0.00161   0.00628   0.00466   0.02390
   D119       0.00117  -0.00006  -0.00035  -0.00150  -0.00186  -0.00069
   D120      -3.11795   0.00005  -0.00155   0.00369   0.00212  -3.11583
   D121      -3.13863  -0.00007   0.00032  -0.00296  -0.00264  -3.14127
   D122       0.02847  -0.00001  -0.00078   0.00075  -0.00004   0.02843
   D123      -0.00146  -0.00001   0.00026  -0.00034  -0.00008  -0.00155
   D124      -3.11755   0.00005  -0.00084   0.00337   0.00252  -3.11503
   D125       3.14024  -0.00003  -0.00005  -0.00099  -0.00104   3.13921
   D126       0.03103   0.00006  -0.00120   0.00442   0.00321   0.03424
   D127      -0.00301  -0.00006  -0.00044  -0.00147  -0.00191  -0.00492
   D128      -3.11222   0.00003  -0.00159   0.00394   0.00233  -3.10989
   D129       3.14149  -0.00003  -0.00012  -0.00052  -0.00064   3.14085
   D130       0.03075   0.00012  -0.00157   0.00741   0.00582   0.03657
   D131       0.00156  -0.00001   0.00028  -0.00004   0.00024   0.00179
   D132      -3.10918   0.00014  -0.00116   0.00789   0.00670  -3.10248
   D133       3.13555  -0.00009   0.00029  -0.00412  -0.00383   3.13172
   D134       0.02246   0.00001  -0.00091   0.00096   0.00004   0.02250
   D135      -0.00277  -0.00007  -0.00023  -0.00155  -0.00179  -0.00456
   D136      -3.11586   0.00002  -0.00143   0.00353   0.00208  -3.11378
   D137      -3.13679   0.00004  -0.00034   0.00262   0.00228  -3.13451
   D138       0.03135   0.00014  -0.00151   0.00765   0.00612   0.03746
   D139       0.00155   0.00003   0.00018   0.00006   0.00024   0.00179
   D140      -3.11350   0.00013  -0.00100   0.00509   0.00408  -3.10942
   D141       0.00325   0.00010   0.00043   0.00236   0.00279   0.00604
   D142      -3.12332   0.00001   0.00111  -0.00287  -0.00173  -3.12505
   D143       3.11591  -0.00007   0.00141  -0.00264  -0.00126   3.11465
   D144      -0.01066  -0.00015   0.00210  -0.00787  -0.00579  -0.01644
   D145       3.11980  -0.00006  -0.00032  -0.00158  -0.00189   3.11790
   D146      -0.01775  -0.00006  -0.00222   0.00375   0.00153  -0.01623
   D147       0.01402   0.00009  -0.00157   0.00450   0.00294   0.01696
   D148      -3.12353   0.00009  -0.00347   0.00983   0.00636  -3.11717
   D149      -0.00226  -0.00010  -0.00025  -0.00235  -0.00261  -0.00487
   D150       3.12165  -0.00005  -0.00126   0.00247   0.00120   3.12285
   D151       3.12146  -0.00002  -0.00111   0.00384   0.00273   3.12419
   D152      -0.03781   0.00003  -0.00212   0.00866   0.00654  -0.03127
   D153      -0.00006   0.00009  -0.00098   0.00454   0.00356   0.00350
   D154       3.13842   0.00007  -0.00068   0.00407   0.00337  -3.14139
   D155      -3.12194  -0.00002  -0.00004  -0.00232  -0.00237  -3.12430
   D156       0.01655  -0.00003   0.00025  -0.00280  -0.00255   0.01400
   D157       0.00046   0.00006  -0.00001   0.00149   0.00147   0.00194
   D158       3.11444  -0.00012   0.00126  -0.00572  -0.00449   3.10995
   D159      -3.12629   0.00001   0.00081  -0.00258  -0.00176  -3.12805
   D160      -0.01231  -0.00018   0.00208  -0.00979  -0.00772  -0.02003
   D161      -3.12216   0.00005   0.00022   0.00063   0.00085  -3.12131
   D162       0.01629  -0.00000   0.00031  -0.00112  -0.00080   0.01549
   D163      -0.00006   0.00012  -0.00088   0.00597   0.00508   0.00502
   D164       3.13839   0.00007  -0.00079   0.00423   0.00343  -3.14137
   D165       3.12293  -0.00011  -0.00003  -0.00357  -0.00359   3.11934
   D166      -0.00704  -0.00012  -0.00198   0.00282   0.00083  -0.00621
   D167       0.01546   0.00008  -0.00162   0.00527   0.00367   0.01913
   D168      -3.11451   0.00008  -0.00357   0.01166   0.00809  -3.10643
   D169      -0.00043   0.00009   0.00030   0.00271   0.00301   0.00258
   D170      -3.12972   0.00002   0.00097  -0.00219  -0.00120  -3.13091
   D171       3.12101  -0.00004   0.00136  -0.00205  -0.00072   3.12029
   D172      -0.00828  -0.00012   0.00203  -0.00695  -0.00493  -0.01320
   D173       3.12787  -0.00009  -0.00029  -0.00199  -0.00227   3.12560
   D174      -0.00670  -0.00011  -0.00207   0.00236   0.00028  -0.00642
   D175       0.01115   0.00006  -0.00161   0.00383   0.00223   0.01338
   D176      -3.12343   0.00003  -0.00339   0.00818   0.00479  -3.11864
   D177      -0.00046  -0.00010  -0.00014  -0.00286  -0.00301  -0.00347
   D178       3.12578  -0.00002  -0.00130   0.00345   0.00215   3.12793
   D179       3.12643  -0.00003  -0.00098   0.00296   0.00198   3.12841
   D180      -0.03052   0.00005  -0.00213   0.00927   0.00715  -0.02337
   D181      -0.00054   0.00008  -0.00083   0.00400   0.00316   0.00262
   D182       3.13867   0.00006  -0.00068   0.00371   0.00303  -3.14149
   D183      -3.12592  -0.00001   0.00008  -0.00245  -0.00237  -3.12829
   D184       0.01329  -0.00003   0.00023  -0.00274  -0.00251   0.01079
   D185       0.00118   0.00007  -0.00007   0.00200   0.00193   0.00311
   D186       3.11988  -0.00003   0.00091  -0.00148  -0.00059   3.11929
   D187      -3.12756  -0.00001   0.00087  -0.00332  -0.00243  -3.12999
   D188      -0.00886  -0.00011   0.00185  -0.00680  -0.00495  -0.01381
   D189      -3.12537  -0.00000   0.00044  -0.00211  -0.00168  -3.12705
   D190       0.01500  -0.00005   0.00055  -0.00357  -0.00302   0.01198
   D191      -0.00070   0.00009  -0.00083   0.00487   0.00404   0.00334
   D192       3.13967   0.00005  -0.00071   0.00341   0.00270  -3.14082
   D193       3.12534  -0.00006  -0.00021  -0.00148  -0.00168   3.12366
   D194      -0.00956  -0.00007  -0.00183   0.00335   0.00150  -0.00806
   D195       0.01199   0.00003  -0.00142   0.00270   0.00129   0.01329
   D196      -3.12291   0.00002  -0.00305   0.00753   0.00448  -3.11843
   D197       0.00288   0.00009   0.00019   0.00240   0.00259   0.00547
   D198      -3.12545   0.00003   0.00089  -0.00197  -0.00106  -3.12651
   D199       3.11890  -0.00004   0.00125  -0.00229  -0.00106   3.11784
   D200      -0.00943  -0.00011   0.00195  -0.00666  -0.00471  -0.01414
   D201       3.12086  -0.00010  -0.00020  -0.00246  -0.00266   3.11820
   D202      -0.01201  -0.00012  -0.00180   0.00112  -0.00068  -0.01269
   D203       0.01085   0.00004  -0.00153   0.00324   0.00172   0.01257
   D204      -3.12202   0.00002  -0.00312   0.00682   0.00370  -3.11832
   D205      -0.00190  -0.00008  -0.00008  -0.00232  -0.00241  -0.00431
   D206       3.12483  -0.00004  -0.00106   0.00273   0.00167   3.12651
   D207       3.12387  -0.00001  -0.00094   0.00285   0.00190   3.12577
   D208      -0.03258   0.00003  -0.00192   0.00790   0.00599  -0.02660
   D209       0.00062   0.00008  -0.00084   0.00416   0.00331   0.00393
   D210       3.13866   0.00006  -0.00067   0.00348   0.00281   3.14147
   D211      -3.12353   0.00000   0.00010  -0.00156  -0.00146  -3.12500
   D212       0.01451  -0.00002   0.00027  -0.00224  -0.00196   0.01254
   D213       0.00024   0.00003  -0.00006   0.00141   0.00135   0.00159
   D214       3.11799  -0.00011   0.00098  -0.00322  -0.00227   3.11572
   D215      -3.12891  -0.00002   0.00074  -0.00286  -0.00210  -3.13101
   D216      -0.01115  -0.00015   0.00177  -0.00749  -0.00572  -0.01687
   D217      -3.12566   0.00004   0.00032  -0.00144  -0.00112  -3.12679
   D218       0.01382  -0.00000   0.00041  -0.00228  -0.00187   0.01195
   D219      -0.00045   0.00009  -0.00075   0.00416   0.00340   0.00295
   D220       3.13903   0.00005  -0.00066   0.00332   0.00266  -3.14150
   D221       3.12730  -0.00005  -0.00010  -0.00103  -0.00112   3.12618
   D222      -0.00531  -0.00007  -0.00158   0.00216   0.00057  -0.00474
   D223       0.01511   0.00010  -0.00139   0.00460   0.00323   0.01834
   D224      -3.11750   0.00007  -0.00287   0.00779   0.00492  -3.11258
   D225       0.00872   0.00000  -0.00069   0.00195   0.00126   0.00997
   D226       3.13908   0.00009   0.00037   0.00134   0.00171   3.14080
   D227      -3.12973   0.00006  -0.00078   0.00371   0.00292  -3.12680
   D228       0.00064   0.00014   0.00028   0.00310   0.00338   0.00402
   D229      -0.00539  -0.00009   0.00115  -0.00652  -0.00538  -0.01077
   D230       3.12761   0.00005   0.00116  -0.00120  -0.00004   3.12757
   D231      -3.13577  -0.00018   0.00009  -0.00594  -0.00585   3.14156
   D232      -0.00277  -0.00003   0.00010  -0.00061  -0.00051  -0.00328
   D233      -0.00671   0.00006   0.00002   0.00284   0.00286  -0.00384
   D234       3.12344   0.00005   0.00194  -0.00349  -0.00155   3.12189
   D235      -3.13975  -0.00009   0.00001  -0.00248  -0.00245   3.14098
   D236      -0.00960  -0.00010   0.00194  -0.00880  -0.00687  -0.01647
   D237      -0.00709   0.00004  -0.00002   0.00201   0.00200  -0.00510
   D238       3.13991  -0.00007  -0.00014  -0.00179  -0.00192   3.13799
   D239       3.13053   0.00003   0.00186  -0.00325  -0.00140   3.12913
   D240      -0.00566  -0.00008   0.00174  -0.00705  -0.00531  -0.01098
   D241      -0.00337  -0.00008   0.00111  -0.00521  -0.00410  -0.00747
   D242      -3.13658  -0.00015  -0.00013  -0.00427  -0.00440  -3.14098
   D243       3.13280   0.00003   0.00123  -0.00141  -0.00017   3.13262
   D244      -0.00041  -0.00004  -0.00000  -0.00047  -0.00048  -0.00089
   D245       0.00693   0.00001  -0.00058   0.00181   0.00122   0.00814
   D246      -3.13155   0.00003  -0.00088   0.00230   0.00141  -3.13014
   D247       3.14012   0.00009   0.00066   0.00086   0.00151  -3.14155
   D248       0.00164   0.00010   0.00036   0.00135   0.00170   0.00334
   D249       0.00671  -0.00001  -0.00055   0.00085   0.00030   0.00700
   D250       3.14002   0.00007   0.00046   0.00066   0.00111   3.14113
   D251      -3.13366   0.00003  -0.00067   0.00232   0.00165  -3.13202
   D252      -0.00035   0.00012   0.00034   0.00212   0.00246   0.00211
   D253      -0.00342  -0.00007   0.00098  -0.00502  -0.00405  -0.00746
   D254       3.13142   0.00006   0.00097  -0.00005   0.00092   3.13234
   D255      -3.13674  -0.00015  -0.00002  -0.00484  -0.00487   3.14157
   D256      -0.00190  -0.00002  -0.00004   0.00013   0.00009  -0.00181
   D257      -0.00592   0.00007   0.00001   0.00318   0.00320  -0.00272
   D258       3.12907   0.00007   0.00163  -0.00161   0.00001   3.12908
   D259      -3.14079  -0.00006   0.00003  -0.00178  -0.00174   3.14066
   D260      -0.00580  -0.00006   0.00164  -0.00657  -0.00493  -0.01074
   D261      -0.00553   0.00004   0.00004   0.00208   0.00213  -0.00340
   D262      -3.13968  -0.00008   0.00005  -0.00261  -0.00255   3.14096
   D263       3.12914   0.00006   0.00181  -0.00224  -0.00043   3.12870
   D264      -0.00501  -0.00006   0.00181  -0.00692  -0.00512  -0.01012
   D265      -0.00308  -0.00006   0.00112  -0.00493  -0.00381  -0.00688
   D266      -3.13562  -0.00016   0.00001  -0.00494  -0.00493  -3.14056
   D267       3.13104   0.00006   0.00113  -0.00025   0.00088   3.13192
   D268      -0.00151  -0.00003   0.00001  -0.00026  -0.00024  -0.00175
   D269       0.00610   0.00000  -0.00070   0.00177   0.00106   0.00715
   D270      -3.13312   0.00002  -0.00086   0.00206   0.00120  -3.13192
   D271       3.13863   0.00009   0.00041   0.00176   0.00217   3.14080
   D272      -0.00058   0.00011   0.00026   0.00205   0.00231   0.00173
   D273       0.00756   0.00001  -0.00058   0.00169   0.00111   0.00867
   D274       3.13950   0.00008   0.00034   0.00154   0.00189   3.14139
   D275      -3.13192   0.00005  -0.00067   0.00254   0.00187  -3.13006
   D276       0.00002   0.00012   0.00025   0.00239   0.00264   0.00267
   D277      -0.00337  -0.00007   0.00096  -0.00459  -0.00363  -0.00700
   D278       3.12988   0.00004   0.00091  -0.00006   0.00085   3.13074
   D279      -3.13533  -0.00014   0.00004  -0.00446  -0.00442  -3.13975
   D280      -0.00208  -0.00003  -0.00001   0.00007   0.00007  -0.00201
   D281      -0.00793   0.00002   0.00003   0.00141   0.00145  -0.00648
   D282       3.12483   0.00004   0.00150  -0.00176  -0.00027   3.12456
   D283      -3.14122  -0.00009   0.00009  -0.00312  -0.00303   3.13894
   D284      -0.00846  -0.00007   0.00155  -0.00629  -0.00474  -0.01320
   D285      -0.00381   0.00005   0.00005   0.00254   0.00259  -0.00121
   D286      -3.13874  -0.00007   0.00005  -0.00240  -0.00234  -3.14108
   D287       3.12919   0.00007   0.00163  -0.00103   0.00059   3.12978
   D288      -0.00575  -0.00005   0.00163  -0.00597  -0.00434  -0.01009
   D289      -0.00480  -0.00007   0.00102  -0.00495  -0.00393  -0.00873
   D290      -3.13692  -0.00016   0.00003  -0.00528  -0.00526   3.14100
   D291       3.13010   0.00006   0.00102  -0.00000   0.00102   3.13113
   D292      -0.00202  -0.00003   0.00003  -0.00034  -0.00031  -0.00233
   D293       0.00633   0.00000  -0.00060   0.00146   0.00086   0.00718
   D294      -3.13171   0.00003  -0.00078   0.00216   0.00137  -3.13034
   D295       3.13843   0.00009   0.00039   0.00179   0.00218   3.14061
   D296       0.00039   0.00012   0.00022   0.00248   0.00270   0.00309
         Item               Value     Threshold  Converged?
 Maximum Force            0.005937     0.000450     NO 
 RMS     Force            0.000912     0.000300     NO 
 Maximum Displacement     0.461278     0.001800     NO 
 RMS     Displacement     0.075057     0.001200     NO 
 Predicted change in Energy=-2.296505D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.024589    2.960454    0.176940
      2          6           0       -2.303149    1.600257    0.061782
      3          6           0       -1.275663    0.637271    0.062282
      4          6           0        0.064605    1.091760    0.144297
      5          6           0        0.333617    2.468757    0.252176
      6          6           0       -0.690084    3.397398    0.279722
      7          6           0       -1.553976   -0.802992   -0.046398
      8          6           0       -0.484703   -1.749783   -0.082583
      9          6           0        0.887678   -1.275428   -0.012669
     10          6           0        1.169520    0.138504    0.098766
     11          6           0       -2.871760   -1.286605   -0.093520
     12          6           0       -3.153923   -2.648166   -0.206137
     13          6           0       -2.094877   -3.572213   -0.256716
     14          6           0       -0.789932   -3.124464   -0.191269
     15          7           0        1.931287   -2.118881   -0.060061
     16          6           0        3.219454   -1.664914   -0.043824
     17          6           0        3.443533   -0.256674    0.073048
     18          7           0        2.408543    0.607491    0.155541
     19          6           0        4.321752   -2.552158   -0.147304
     20          6           0        5.596762   -2.037820   -0.125817
     21          6           0        5.834983   -0.634362   -0.016555
     22          6           0        4.770744    0.240950    0.079101
     23          7           0       -3.084826    3.901168    0.189232
     24          7           0       -4.494399   -3.089744   -0.266545
     25          7           0        7.167202   -0.161246    0.009107
     26          6           0       -5.059344   -4.107719    0.520816
     27          6           0       -6.425993   -4.253451    0.166370
     28          6           0       -6.696978   -3.290300   -0.883346
     29          6           0       -5.486743   -2.588795   -1.125037
     30          6           0       -3.226342    4.985749   -0.688628
     31          6           0       -4.414977    5.689690   -0.358676
     32          6           0       -5.013721    5.001597    0.768766
     33          6           0       -4.169002    3.902902    1.078472
     34          6           0        7.724304    0.679265    0.986553
     35          6           0        9.086564    0.914394    0.663692
     36          6           0        9.361875    0.191799   -0.563556
     37          6           0        8.158271   -0.460771   -0.938494
     38          6           0       -7.838287   -2.981603   -1.631968
     39          6           0       -7.762297   -1.991796   -2.608017
     40          6           0       -6.551847   -1.319007   -2.847431
     41          6           0       -5.400273   -1.606039   -2.116139
     42          6           0       -4.483527   -4.876930    1.536875
     43          6           0       -5.293852   -5.810956    2.179947
     44          6           0       -6.645296   -5.977373    1.831255
     45          6           0       -7.217189   -5.198378    0.829312
     46          6           0       -6.164929    5.224548    1.533358
     47          6           0       -6.456209    4.363412    2.587721
     48          6           0       -5.601816    3.287839    2.887859
     49          6           0       -4.449409    3.041831    2.143511
     50          6           0       -2.416655    5.379575   -1.758890
     51          6           0       -2.807168    6.502331   -2.486609
     52          6           0       -3.974351    7.217753   -2.166316
     53          6           0       -4.782908    6.813696   -1.107545
     54          6           0       10.500706    0.054924   -1.365347
     55          6           0       10.427619   -0.718899   -2.520628
     56          6           0        9.223791   -1.346785   -2.884381
     57          6           0        8.073737   -1.225889   -2.105912
     58          6           0        7.143003    1.216153    2.138942
     59          6           0        7.945004    2.008092    2.959171
     60          6           0        9.291976    2.262256    2.647686
     61          6           0        9.868242    1.714894    1.504670
     62          1           0       -3.338052    1.305729   -0.047915
     63          1           0        1.367447    2.784592    0.327798
     64          1           0       -0.474487    4.454307    0.388539
     65          1           0       -3.707633   -0.604892   -0.018542
     66          1           0       -2.297034   -4.631125   -0.367251
     67          1           0        0.002183   -3.862176   -0.238003
     68          1           0        1.876100   -3.282351    0.128108
     69          1           0        4.132403   -3.619051   -0.196944
     70          1           0        6.448142   -2.707946   -0.174341
     71          1           0        4.918273    1.312267    0.141758
     72          1           0       -8.768778   -3.512814   -1.454030
     73          1           0       -8.639743   -1.742997   -3.196314
     74          1           0       -6.505259   -0.558397   -3.621262
     75          1           0       -4.470403   -1.090114   -2.326459
     76          1           0       -3.446405   -4.754425    1.827003
     77          1           0       -4.864953   -6.420736    2.969521
     78          1           0       -7.247031   -6.714146    2.353752
     79          1           0       -8.263968   -5.317386    0.564992
     80          1           0       -6.819127    6.061191    1.305601
     81          1           0       -7.345342    4.525227    3.188690
     82          1           0       -5.839516    2.630770    3.719310
     83          1           0       -3.793025    2.215456    2.393070
     84          1           0       -1.520428    4.830747   -2.024758
     85          1           0       -2.192896    6.826487   -3.321633
     86          1           0       -4.248679    8.087122   -2.755330
     87          1           0       -5.689635    7.360164   -0.864590
     88          1           0       11.427327    0.549386   -1.088692
     89          1           0       11.303343   -0.833179   -3.151463
     90          1           0        9.181704   -1.938434   -3.794114
     91          1           0        7.148868   -1.703683   -2.408769
     92          1           0        6.108961    1.020128    2.397936
     93          1           0        7.513868    2.434991    3.859953
     94          1           0        9.887003    2.884064    3.308922
     95          1           0       10.911652    1.901515    1.267652
     96         17           0        2.032626   -4.919323    0.460977
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462512           0.0188022           0.0146377
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7840.4529060659 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999994    0.003458    0.000105    0.000911 Ang=   0.41 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58608533     A.U. after   13 cycles
            NFock= 13  Conv=0.53D-08     -V/T= 2.0087
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000455749    0.000403477   -0.000224371
      2        6           0.001271871    0.000382694    0.000768953
      3        6           0.000901262    0.001884319    0.000021124
      4        6          -0.001516469   -0.001183027   -0.000198912
      5        6          -0.000297046    0.000859859    0.000141874
      6        6          -0.000027908   -0.001110693   -0.000592087
      7        6           0.001281113   -0.002235750    0.000739599
      8        6          -0.002017938    0.001656976    0.000771649
      9        6          -0.001021032    0.000298668   -0.000565254
     10        6           0.000163242   -0.001229304   -0.001110868
     11        6           0.000831349    0.000390169   -0.000599287
     12        6          -0.000770073   -0.000919043    0.000489319
     13        6          -0.000750924    0.001369601    0.000298850
     14        6           0.000105683   -0.000206214   -0.001402222
     15        7           0.004704580    0.001737808    0.004854007
     16        6          -0.001309353    0.002895929   -0.000883729
     17        6           0.001631951   -0.001376042   -0.000732347
     18        7          -0.001226547   -0.000892370   -0.000378178
     19        6          -0.000823085    0.000920678    0.001657067
     20        6          -0.000676155   -0.000124951   -0.000497975
     21        6           0.001177162    0.000535403   -0.000258095
     22        6          -0.000196012   -0.000961859    0.000420570
     23        7           0.001700117   -0.000644396   -0.000381264
     24        7           0.002114928    0.001084787    0.000106486
     25        7          -0.002005237   -0.001302747   -0.000064230
     26        6          -0.001590012   -0.002229707   -0.000419457
     27        6           0.001434139    0.001122966   -0.000267168
     28        6           0.001492380    0.000768356    0.000494447
     29        6          -0.002815116   -0.000265580    0.000101764
     30        6          -0.001376991    0.002127544    0.000376063
     31        6           0.001450429   -0.001008371    0.000449817
     32        6           0.001569120   -0.000675038   -0.000356781
     33        6          -0.002551170    0.000175130   -0.000341808
     34        6           0.001230271    0.002389958    0.000148231
     35        6          -0.001439100   -0.000981848   -0.000500544
     36        6          -0.001495967   -0.000882907    0.000320398
     37        6           0.002548938    0.000033996    0.000236294
     38        6           0.000422785    0.000255984    0.000179676
     39        6           0.001267836    0.000226880    0.000167650
     40        6          -0.000407759   -0.000182528   -0.000007834
     41        6          -0.000157134   -0.001172598    0.000352310
     42        6          -0.000808013    0.000689882   -0.000652697
     43        6          -0.000466984   -0.000317074   -0.000110470
     44        6           0.000747721    0.000968181   -0.000021882
     45        6           0.000458354    0.000188285   -0.000041982
     46        6           0.000423001   -0.000295538   -0.000099166
     47        6           0.001266976   -0.000154634   -0.000155399
     48        6          -0.000375821    0.000146842   -0.000049142
     49        6          -0.000281085    0.000955135   -0.000436162
     50        6          -0.001246640   -0.000568411    0.000783135
     51        6          -0.000383317    0.000251975    0.000056473
     52        6           0.000814725   -0.000938267    0.000130648
     53        6           0.000502418   -0.000221929    0.000156990
     54        6          -0.000415880   -0.000343740    0.000068036
     55        6          -0.001246156   -0.000280383    0.000168596
     56        6           0.000444318    0.000205797    0.000058988
     57        6           0.000239857    0.001159906    0.000741288
     58        6           0.001258107   -0.000140515   -0.000686015
     59        6           0.000346160    0.000245940   -0.000029040
     60        6          -0.000748447   -0.000990780   -0.000305891
     61        6          -0.000460674   -0.000226742   -0.000115086
     62        1          -0.000438468    0.000161510    0.000239474
     63        1          -0.000195598   -0.000213282   -0.000180378
     64        1          -0.000494939    0.000105223   -0.000043453
     65        1          -0.000211307   -0.000065638   -0.000147580
     66        1          -0.000388651   -0.000023862   -0.000020205
     67        1           0.001094804   -0.000000567    0.000396081
     68        1          -0.002565550    0.000836601   -0.003886713
     69        1           0.000374728    0.000168739   -0.000391274
     70        1          -0.000069046    0.000220323    0.000012497
     71        1           0.000063955    0.000065331    0.000038817
     72        1          -0.000060960    0.000067263   -0.000165178
     73        1          -0.000098061    0.000083802    0.000061711
     74        1          -0.000214132   -0.000186554    0.000033281
     75        1           0.000094090   -0.000007100    0.000223565
     76        1           0.000063600    0.000150918   -0.000103936
     77        1          -0.000213224   -0.000070798   -0.000060582
     78        1           0.000036417   -0.000129235   -0.000059761
     79        1           0.000033213   -0.000086171    0.000173558
     80        1          -0.000066846   -0.000065694    0.000192977
     81        1          -0.000090224   -0.000083136   -0.000051040
     82        1          -0.000228903    0.000180821   -0.000050141
     83        1           0.000042623    0.000031392   -0.000194437
     84        1           0.000304297   -0.000214783    0.000219706
     85        1          -0.000233985    0.000060742    0.000051894
     86        1           0.000023649    0.000113282    0.000042477
     87        1           0.000025605    0.000054548   -0.000153293
     88        1           0.000045880   -0.000026349   -0.000173443
     89        1           0.000083505   -0.000065631    0.000040924
     90        1           0.000174241    0.000185240    0.000081509
     91        1          -0.000171137   -0.000022612    0.000108569
     92        1          -0.000189250   -0.000082311   -0.000160005
     93        1           0.000236671    0.000085772   -0.000058340
     94        1          -0.000033657    0.000113615   -0.000037438
     95        1          -0.000031964    0.000040071    0.000167272
     96       17           0.000857620   -0.003651605    0.001077928
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004854007 RMS     0.000943244

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002696421 RMS     0.000507552
 Search for a local minimum.
 Step number  11 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11
 DE= -1.73D-03 DEPred=-2.30D-03 R= 7.53D-01
 TightC=F SS=  1.41D+00  RLast= 3.83D-01 DXNew= 5.0454D+00 1.1486D+00
 Trust test= 7.53D-01 RLast= 3.83D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.01152   0.02169   0.02401   0.02705   0.02707
     Eigenvalues ---    0.02725   0.02733   0.02743   0.02745   0.02750
     Eigenvalues ---    0.02754   0.02765   0.02770   0.02775   0.02782
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02793   0.02794
     Eigenvalues ---    0.02797   0.02810   0.02816   0.02817   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02824   0.02829
     Eigenvalues ---    0.02833   0.02834   0.02836   0.02841   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02851
     Eigenvalues ---    0.02856   0.02860   0.02864   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02883   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02894   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02899   0.02900   0.02901   0.02908
     Eigenvalues ---    0.02909   0.02925   0.02939   0.02941   0.02945
     Eigenvalues ---    0.02974   0.02999   0.03021   0.03025   0.03107
     Eigenvalues ---    0.03127   0.03129   0.03135   0.03136   0.03150
     Eigenvalues ---    0.03299   0.03494   0.04104   0.05891   0.12899
     Eigenvalues ---    0.15409   0.15915   0.15992   0.15996   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16012
     Eigenvalues ---    0.16044   0.16073   0.16154   0.19364   0.21957
     Eigenvalues ---    0.21975   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22006   0.22384   0.22439   0.22510   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22604   0.22635   0.22736
     Eigenvalues ---    0.23493   0.23510   0.23838   0.24231   0.24488
     Eigenvalues ---    0.24489   0.24517   0.24530   0.24535   0.24585
     Eigenvalues ---    0.24646   0.24687   0.24919   0.24982   0.24982
     Eigenvalues ---    0.24987   0.24989   0.24990   0.24991   0.24995
     Eigenvalues ---    0.24998   0.24999   0.25000   0.25002   0.25039
     Eigenvalues ---    0.25083   0.25391   0.25827   0.28474   0.31063
     Eigenvalues ---    0.33229   0.33242   0.33248   0.33253   0.33255
     Eigenvalues ---    0.33256   0.33285   0.33333   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33396   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33682
     Eigenvalues ---    0.33844   0.33859   0.33867   0.33888   0.33892
     Eigenvalues ---    0.33904   0.33915   0.33938   0.33955   0.34240
     Eigenvalues ---    0.34347   0.34782   0.35951   0.44461   0.44475
     Eigenvalues ---    0.44679   0.45171   0.46882   0.48220   0.48619
     Eigenvalues ---    0.48963   0.48969   0.49626   0.49688   0.50169
     Eigenvalues ---    0.50323   0.50386   0.50414   0.50608   0.50628
     Eigenvalues ---    0.50653   0.51040   0.52573   0.52929   0.53408
     Eigenvalues ---    0.54085   0.54106   0.54194   0.54200   0.54211
     Eigenvalues ---    0.54531   0.54883   0.54914   0.55041   0.55423
     Eigenvalues ---    0.55528   0.55622   0.55739   0.55904   0.55917
     Eigenvalues ---    0.55949   0.56127   0.56132   0.56148   0.56230
     Eigenvalues ---    0.56395   0.56581   0.56664   0.56665   0.56666
     Eigenvalues ---    0.56679   0.56689   0.56710   0.56717   0.56812
     Eigenvalues ---    0.56903   0.56912   0.57101   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57178   0.58680   0.60050
     Eigenvalues ---    0.62138   0.64197   0.65978   0.66069   0.67595
     Eigenvalues ---    0.67724   0.67968   0.69780   0.69911   0.70000
     Eigenvalues ---    0.73819   0.76230
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    11   10
 RFO step:  Lambda=-1.14245020D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.05095   -0.05095
 Iteration  1 RMS(Cart)=  0.06310656 RMS(Int)=  0.00048611
 Iteration  2 RMS(Cart)=  0.00141128 RMS(Int)=  0.00007107
 Iteration  3 RMS(Cart)=  0.00000048 RMS(Int)=  0.00007107
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63276  -0.00112   0.00001  -0.00139  -0.00138   2.63138
    R2        2.66068  -0.00133  -0.00009  -0.00229  -0.00238   2.65830
    R3        2.67861  -0.00150   0.00017  -0.00201  -0.00183   2.67678
    R4        2.66114  -0.00079  -0.00004  -0.00159  -0.00164   2.65950
    R5        2.04388   0.00027   0.00003   0.00036   0.00039   2.04427
    R6        2.67889  -0.00228  -0.00005  -0.00374  -0.00379   2.67509
    R7        2.77965   0.00012   0.00025   0.00111   0.00136   2.78101
    R8        2.65916   0.00033  -0.00003   0.00041   0.00037   2.65954
    R9        2.75900  -0.00016  -0.00004  -0.00057  -0.00060   2.75840
   R10        2.61240  -0.00062  -0.00005  -0.00111  -0.00116   2.61125
   R11        2.04778  -0.00029   0.00011  -0.00050  -0.00039   2.04740
   R12        2.04875   0.00011   0.00006   0.00033   0.00039   2.04914
   R13        2.69977  -0.00178  -0.00000  -0.00332  -0.00333   2.69644
   R14        2.65415  -0.00106   0.00008  -0.00162  -0.00154   2.65261
   R15        2.74715  -0.00071   0.00059  -0.00049   0.00009   2.74724
   R16        2.66895  -0.00032  -0.00005  -0.00093  -0.00098   2.66797
   R17        2.73263  -0.00162  -0.00002  -0.00340  -0.00344   2.72920
   R18        2.53729   0.00113  -0.00027   0.00063   0.00040   2.53769
   R19        2.50583  -0.00130   0.00004  -0.00094  -0.00094   2.50489
   R20        2.63625  -0.00083  -0.00022  -0.00162  -0.00183   2.63442
   R21        2.04321   0.00015   0.00006   0.00014   0.00020   2.04341
   R22        2.65774  -0.00089  -0.00003  -0.00106  -0.00108   2.65666
   R23        2.66948  -0.00163   0.00014  -0.00223  -0.00209   2.66738
   R24        2.61004   0.00010  -0.00012  -0.00030  -0.00042   2.60962
   R25        2.04787   0.00001   0.00003  -0.00006  -0.00004   2.04784
   R26        2.04741   0.00094  -0.00062   0.00117   0.00055   2.04796
   R27        2.58121  -0.00071   0.00006  -0.00173  -0.00163   2.57958
   R28        2.22965   0.00027   0.00136  -0.00650  -0.00428   2.22537
   R29        5.38629   0.00175  -0.00371   0.06342   0.05883   5.44513
   R30        2.70370  -0.00201   0.00027  -0.00311  -0.00283   2.70087
   R31        2.68113  -0.00102   0.00015  -0.00227  -0.00211   2.67902
   R32        2.55273   0.00006   0.00012   0.00064   0.00073   2.55347
   R33        2.67859  -0.00089   0.00011  -0.00134  -0.00123   2.67735
   R34        2.59839  -0.00088  -0.00011  -0.00169  -0.00179   2.59660
   R35        2.04979  -0.00012  -0.00010  -0.00064  -0.00074   2.04904
   R36        2.69800  -0.00090   0.00003  -0.00112  -0.00110   2.69690
   R37        2.04952  -0.00016   0.00005  -0.00059  -0.00054   2.04898
   R38        2.61024  -0.00085  -0.00021  -0.00134  -0.00156   2.60868
   R39        2.67201  -0.00185   0.00021  -0.00231  -0.00209   2.66992
   R40        2.04703   0.00006   0.00005   0.00006   0.00010   2.04713
   R41        2.65032  -0.00075   0.00041   0.00067   0.00108   2.65141
   R42        2.64979   0.00003   0.00038   0.00202   0.00240   2.65219
   R43        2.65597  -0.00029   0.00036   0.00115   0.00151   2.65748
   R44        2.65418   0.00013   0.00047   0.00239   0.00287   2.65705
   R45        2.65385   0.00004   0.00037   0.00172   0.00209   2.65594
   R46        2.65228  -0.00010   0.00040   0.00166   0.00206   2.65434
   R47        2.68221  -0.00217  -0.00000  -0.00400  -0.00400   2.67821
   R48        2.64266  -0.00122  -0.00009  -0.00223  -0.00232   2.64034
   R49        2.74043  -0.00091   0.00020  -0.00127  -0.00107   2.73936
   R50        2.64452  -0.00044  -0.00005  -0.00098  -0.00103   2.64348
   R51        2.68261  -0.00205  -0.00001  -0.00347  -0.00348   2.67913
   R52        2.64448  -0.00052  -0.00002  -0.00099  -0.00100   2.64348
   R53        2.64263  -0.00108  -0.00007  -0.00174  -0.00182   2.64081
   R54        2.68398  -0.00221   0.00001  -0.00407  -0.00406   2.67992
   R55        2.64302  -0.00149  -0.00009  -0.00269  -0.00278   2.64024
   R56        2.74049  -0.00097   0.00021  -0.00135  -0.00115   2.73934
   R57        2.64532  -0.00056  -0.00003  -0.00114  -0.00118   2.64415
   R58        2.68354  -0.00207  -0.00001  -0.00347  -0.00348   2.68007
   R59        2.64534  -0.00049  -0.00003  -0.00098  -0.00100   2.64434
   R60        2.64182  -0.00095  -0.00009  -0.00153  -0.00162   2.64020
   R61        2.68266  -0.00214   0.00001  -0.00373  -0.00371   2.67895
   R62        2.64167  -0.00118  -0.00006  -0.00196  -0.00202   2.63966
   R63        2.74113  -0.00101   0.00020  -0.00147  -0.00127   2.73986
   R64        2.64499  -0.00055  -0.00003  -0.00109  -0.00112   2.64387
   R65        2.68254  -0.00210  -0.00000  -0.00370  -0.00370   2.67884
   R66        2.64463  -0.00055  -0.00002  -0.00105  -0.00107   2.64356
   R67        2.64252  -0.00116  -0.00007  -0.00198  -0.00205   2.64047
   R68        2.63084  -0.00042  -0.00000  -0.00075  -0.00075   2.63009
   R69        2.05247  -0.00002   0.00004   0.00008   0.00011   2.05259
   R70        2.65582  -0.00122  -0.00005  -0.00233  -0.00238   2.65344
   R71        2.05095   0.00005   0.00001   0.00024   0.00025   2.05120
   R72        2.63432  -0.00038   0.00005  -0.00035  -0.00030   2.63403
   R73        2.05234  -0.00013   0.00007  -0.00013  -0.00005   2.05229
   R74        2.04848   0.00003   0.00001  -0.00023  -0.00022   2.04825
   R75        2.63383  -0.00031   0.00002  -0.00033  -0.00030   2.63353
   R76        2.04824   0.00007   0.00009   0.00035   0.00044   2.04868
   R77        2.65618  -0.00118  -0.00003  -0.00208  -0.00211   2.65407
   R78        2.05208  -0.00012   0.00005  -0.00012  -0.00007   2.05201
   R79        2.63058  -0.00043   0.00001  -0.00063  -0.00061   2.62997
   R80        2.05096   0.00006   0.00001   0.00027   0.00028   2.05124
   R81        2.05257  -0.00005   0.00004   0.00002   0.00006   2.05263
   R82        2.63078  -0.00049   0.00001  -0.00084  -0.00084   2.62994
   R83        2.05261  -0.00003   0.00004   0.00005   0.00008   2.05270
   R84        2.65702  -0.00123  -0.00005  -0.00235  -0.00240   2.65461
   R85        2.05095   0.00005   0.00001   0.00024   0.00025   2.05119
   R86        2.63386  -0.00041   0.00004  -0.00042  -0.00038   2.63348
   R87        2.05238  -0.00013   0.00007  -0.00014  -0.00008   2.05230
   R88        2.04930  -0.00003   0.00002  -0.00037  -0.00035   2.04895
   R89        2.63388  -0.00041   0.00003  -0.00048  -0.00045   2.63343
   R90        2.04852   0.00030   0.00005   0.00087   0.00092   2.04944
   R91        2.65689  -0.00116  -0.00004  -0.00207  -0.00211   2.65478
   R92        2.05248  -0.00013   0.00006  -0.00013  -0.00007   2.05241
   R93        2.63074  -0.00038   0.00000  -0.00055  -0.00055   2.63020
   R94        2.05102   0.00005   0.00001   0.00023   0.00024   2.05126
   R95        2.05260  -0.00004   0.00004   0.00003   0.00007   2.05267
   R96        2.63128  -0.00052  -0.00000  -0.00087  -0.00087   2.63041
   R97        2.05247  -0.00003   0.00004   0.00005   0.00008   2.05255
   R98        2.65623  -0.00126  -0.00004  -0.00231  -0.00235   2.65388
   R99        2.05095   0.00004   0.00001   0.00020   0.00021   2.05116
   R100       2.63429  -0.00039   0.00004  -0.00041  -0.00037   2.63393
   R101       2.05228  -0.00015   0.00006  -0.00017  -0.00011   2.05216
   R102       2.04876   0.00010   0.00002   0.00016   0.00018   2.04894
   R103       2.63422  -0.00046   0.00004  -0.00055  -0.00051   2.63371
   R104       2.04819   0.00017   0.00001   0.00031   0.00032   2.04851
   R105       2.65636  -0.00124  -0.00005  -0.00228  -0.00233   2.65404
   R106       2.05236  -0.00014   0.00006  -0.00017  -0.00011   2.05225
   R107       2.63084  -0.00052   0.00000  -0.00085  -0.00085   2.62999
   R108       2.05097   0.00004   0.00001   0.00020   0.00021   2.05118
   R109       2.05252  -0.00004   0.00004   0.00002   0.00005   2.05257
   R110       3.17056   0.00213  -0.00771   0.07595   0.06913   3.23969
    A1        2.09270   0.00003   0.00041   0.00002   0.00043   2.09313
    A2        2.09336   0.00024  -0.00017   0.00185   0.00167   2.09503
    A3        2.09713  -0.00027  -0.00024  -0.00186  -0.00210   2.09502
    A4        2.11967   0.00012  -0.00031  -0.00009  -0.00040   2.11926
    A5        2.05507  -0.00044   0.00023  -0.00141  -0.00119   2.05388
    A6        2.10827   0.00032   0.00009   0.00153   0.00162   2.10989
    A7        2.06078   0.00017   0.00007   0.00073   0.00081   2.06159
    A8        2.13116   0.00006  -0.00005   0.00020   0.00017   2.13133
    A9        2.09103  -0.00023  -0.00003  -0.00092  -0.00096   2.09007
   A10        2.09313  -0.00002   0.00006  -0.00036  -0.00031   2.09283
   A11        2.09945  -0.00017   0.00012   0.00001   0.00011   2.09956
   A12        2.09051   0.00019  -0.00018   0.00044   0.00026   2.09077
   A13        2.11450  -0.00029   0.00006  -0.00028  -0.00022   2.11428
   A14        2.06342   0.00005  -0.00034  -0.00124  -0.00157   2.06185
   A15        2.10516   0.00024   0.00028   0.00151   0.00178   2.10695
   A16        2.08512  -0.00001  -0.00028   0.00001  -0.00027   2.08486
   A17        2.09249  -0.00050  -0.00012  -0.00328  -0.00340   2.08909
   A18        2.10553   0.00051   0.00040   0.00326   0.00365   2.10918
   A19        2.10500   0.00011  -0.00005  -0.00002  -0.00010   2.10490
   A20        2.11432  -0.00059  -0.00031  -0.00238  -0.00267   2.11165
   A21        2.06370   0.00048   0.00037   0.00247   0.00284   2.06654
   A22        2.08185   0.00035   0.00008   0.00140   0.00144   2.08329
   A23        2.07743   0.00032  -0.00040   0.00001  -0.00039   2.07705
   A24        2.12389  -0.00067   0.00032  -0.00140  -0.00105   2.12284
   A25        2.10222  -0.00071  -0.00020  -0.00219  -0.00247   2.09975
   A26        2.12597   0.00059   0.00010   0.00305   0.00313   2.12910
   A27        2.05496   0.00013   0.00010  -0.00080  -0.00062   2.05433
   A28        2.08669   0.00065   0.00011   0.00186   0.00194   2.08863
   A29        2.06562  -0.00052  -0.00047  -0.00224  -0.00270   2.06292
   A30        2.13086  -0.00013   0.00036   0.00042   0.00077   2.13163
   A31        2.12768  -0.00021  -0.00036  -0.00176  -0.00213   2.12555
   A32        2.10124   0.00027   0.00013   0.00110   0.00123   2.10247
   A33        2.05398  -0.00006   0.00023   0.00058   0.00081   2.05480
   A34        2.08501  -0.00007   0.00031  -0.00029   0.00001   2.08503
   A35        2.09494   0.00014   0.00006   0.00221   0.00228   2.09722
   A36        2.10323  -0.00007  -0.00037  -0.00192  -0.00229   2.10094
   A37        2.09065   0.00037  -0.00024   0.00178   0.00153   2.09218
   A38        2.10041  -0.00059  -0.00025  -0.00402  -0.00427   2.09614
   A39        2.09191   0.00021   0.00049   0.00229   0.00278   2.09470
   A40        2.12159  -0.00090   0.00033  -0.00222  -0.00192   2.11968
   A41        2.10372  -0.00015   0.00007  -0.00145  -0.00138   2.10234
   A42        2.05780   0.00105  -0.00040   0.00378   0.00337   2.06117
   A43        2.12212  -0.00068  -0.00026   0.00023  -0.00024   2.12189
   A44        2.18642  -0.00170   0.00102  -0.01243  -0.01144   2.17497
   A45        2.26319  -0.00043   0.00246  -0.00358  -0.00149   2.26170
   A46        1.94975   0.00270  -0.00066   0.01892   0.01804   1.96779
   A47        1.86590   0.00098   0.00052   0.00433   0.00470   1.87060
   A48        2.06667   0.00052   0.00018   0.00097   0.00124   2.06791
   A49        2.12234  -0.00034   0.00025   0.00053   0.00072   2.12305
   A50        2.09416  -0.00019  -0.00043  -0.00150  -0.00195   2.09221
   A51        2.11140  -0.00027   0.00004  -0.00134  -0.00130   2.11010
   A52        2.08581   0.00033   0.00023   0.00107   0.00130   2.08711
   A53        2.08582  -0.00006  -0.00026   0.00033   0.00004   2.08586
   A54        2.07949   0.00044  -0.00043   0.00064   0.00016   2.07965
   A55        2.07757   0.00022   0.00032   0.00167   0.00199   2.07957
   A56        2.07465   0.00029  -0.00009   0.00245   0.00235   2.07699
   A57        2.12999  -0.00050  -0.00019  -0.00380  -0.00402   2.12597
   A58        2.12189  -0.00009  -0.00017  -0.00049  -0.00065   2.12124
   A59        2.08988   0.00022   0.00041   0.00162   0.00203   2.09191
   A60        2.07125  -0.00013  -0.00024  -0.00113  -0.00137   2.06987
   A61        2.09402  -0.00027   0.00020  -0.00095  -0.00076   2.09326
   A62        2.08003   0.00024  -0.00027   0.00031   0.00004   2.08008
   A63        2.10905   0.00003   0.00007   0.00060   0.00067   2.10972
   A64        2.09285  -0.00001  -0.00015   0.00019   0.00004   2.09289
   A65        2.06573   0.00007   0.00007  -0.00026  -0.00019   2.06555
   A66        2.12444  -0.00007   0.00008   0.00008   0.00015   2.12460
   A67        2.19355  -0.00018   0.00015  -0.00126  -0.00111   2.19243
   A68        2.19525   0.00058  -0.00008   0.00298   0.00290   2.19816
   A69        1.89439  -0.00040  -0.00008  -0.00172  -0.00179   1.89260
   A70        2.19430  -0.00020   0.00002  -0.00198  -0.00195   2.19234
   A71        2.19579   0.00071   0.00006   0.00395   0.00401   2.19980
   A72        1.89310  -0.00051  -0.00009  -0.00197  -0.00205   1.89105
   A73        2.19771   0.00023   0.00001   0.00061   0.00062   2.19834
   A74        2.19154   0.00022   0.00007   0.00099   0.00107   2.19261
   A75        1.89391  -0.00045  -0.00009  -0.00160  -0.00169   1.89223
   A76        1.89811   0.00011  -0.00001   0.00074   0.00072   1.89883
   A77        2.26518  -0.00077  -0.00028  -0.00311  -0.00339   2.26179
   A78        2.11932   0.00066   0.00029   0.00220   0.00248   2.12180
   A79        1.86763   0.00023   0.00007   0.00047   0.00054   1.86817
   A80        2.08910  -0.00033  -0.00015  -0.00130  -0.00145   2.08765
   A81        2.32639   0.00010   0.00009   0.00083   0.00091   2.32731
   A82        1.86726   0.00024   0.00006   0.00080   0.00087   1.86813
   A83        2.32697   0.00002   0.00007  -0.00003   0.00004   2.32701
   A84        2.08888  -0.00026  -0.00013  -0.00078  -0.00091   2.08796
   A85        1.89866  -0.00007  -0.00003  -0.00005  -0.00008   1.89858
   A86        2.26551  -0.00041  -0.00018  -0.00099  -0.00118   2.26433
   A87        2.11842   0.00048   0.00021   0.00082   0.00102   2.11944
   A88        1.89897   0.00011  -0.00004   0.00056   0.00051   1.89949
   A89        2.26310  -0.00084  -0.00022  -0.00298  -0.00320   2.25990
   A90        2.12081   0.00073   0.00026   0.00230   0.00256   2.12337
   A91        1.86603   0.00023   0.00008   0.00062   0.00070   1.86674
   A92        2.08708  -0.00036  -0.00016  -0.00145  -0.00161   2.08547
   A93        2.33003   0.00013   0.00008   0.00083   0.00091   2.33095
   A94        1.86613   0.00016   0.00004   0.00058   0.00062   1.86675
   A95        2.33035   0.00006   0.00013   0.00017   0.00030   2.33065
   A96        2.08666  -0.00023  -0.00017  -0.00075  -0.00092   2.08575
   A97        1.89925  -0.00011  -0.00000  -0.00005  -0.00005   1.89920
   A98        2.26199  -0.00030  -0.00027  -0.00081  -0.00108   2.26091
   A99        2.12161   0.00041   0.00027   0.00075   0.00101   2.12262
   A100       1.89812  -0.00008  -0.00000   0.00005   0.00005   1.89816
   A101       2.26356  -0.00036  -0.00022  -0.00124  -0.00147   2.26210
   A102       2.12106   0.00044   0.00022   0.00104   0.00126   2.12231
   A103       1.86716   0.00030   0.00004   0.00073   0.00077   1.86793
   A104       2.08747  -0.00023  -0.00014  -0.00078  -0.00093   2.08655
   A105       2.32850  -0.00007   0.00011   0.00005   0.00015   2.32866
   A106       1.86664   0.00029   0.00007   0.00078   0.00086   1.86750
   A107       2.32938  -0.00007   0.00009  -0.00001   0.00008   2.32947
   A108       2.08712  -0.00022  -0.00016  -0.00079  -0.00095   2.08617
   A109       1.89894  -0.00006  -0.00002   0.00003  -0.00000   1.89894
   A110       2.26235  -0.00036  -0.00022  -0.00109  -0.00131   2.26104
   A111       2.12151   0.00041   0.00024   0.00090   0.00113   2.12264
   A112       2.07988  -0.00001   0.00003   0.00016   0.00018   2.08006
   A113       2.09807   0.00019  -0.00017   0.00050   0.00033   2.09839
   A114       2.10523  -0.00018   0.00014  -0.00066  -0.00052   2.10471
   A115       2.10227   0.00017  -0.00001   0.00068   0.00067   2.10293
   A116       2.09311  -0.00008   0.00008  -0.00009  -0.00001   2.09310
   A117       2.08776  -0.00008  -0.00007  -0.00057  -0.00064   2.08712
   A118       2.12182  -0.00050   0.00007  -0.00148  -0.00141   2.12040
   A119       2.08701  -0.00001   0.00005  -0.00043  -0.00039   2.08662
   A120       2.07436   0.00051  -0.00012   0.00192   0.00180   2.07616
   A121       2.05490   0.00012  -0.00018   0.00053   0.00035   2.05525
   A122       2.12354  -0.00028  -0.00011  -0.00143  -0.00154   2.12200
   A123       2.10463   0.00016   0.00028   0.00091   0.00119   2.10582
   A124       2.05382  -0.00000  -0.00023  -0.00049  -0.00072   2.05309
   A125       2.12505  -0.00018  -0.00009  -0.00097  -0.00106   2.12399
   A126       2.10430   0.00018   0.00032   0.00146   0.00178   2.10608
   A127       2.12220  -0.00045   0.00007  -0.00123  -0.00116   2.12104
   A128       2.07392   0.00043  -0.00017   0.00128   0.00111   2.07503
   A129       2.08707   0.00002   0.00010  -0.00005   0.00005   2.08712
   A130       2.10285   0.00013   0.00003   0.00079   0.00081   2.10366
   A131       2.08750  -0.00007  -0.00007  -0.00061  -0.00068   2.08682
   A132       2.09281  -0.00006   0.00004  -0.00017  -0.00012   2.09268
   A133       2.07894  -0.00001  -0.00000  -0.00004  -0.00005   2.07890
   A134       2.09852   0.00019  -0.00017   0.00052   0.00035   2.09888
   A135       2.10571  -0.00018   0.00017  -0.00049  -0.00031   2.10540
   A136       2.07970   0.00000   0.00002   0.00018   0.00020   2.07990
   A137       2.09839   0.00021  -0.00016   0.00065   0.00049   2.09888
   A138       2.10510  -0.00021   0.00013  -0.00083  -0.00070   2.10440
   A139       2.10332   0.00017   0.00002   0.00070   0.00071   2.10404
   A140       2.09273  -0.00009   0.00006  -0.00014  -0.00008   2.09265
   A141       2.08711  -0.00008  -0.00008  -0.00054  -0.00062   2.08648
   A142       2.12169  -0.00049   0.00006  -0.00146  -0.00140   2.12029
   A143       2.08659  -0.00003   0.00005  -0.00051  -0.00046   2.08614
   A144       2.07490   0.00051  -0.00011   0.00197   0.00186   2.07676
   A145       2.05329   0.00013  -0.00020   0.00054   0.00034   2.05362
   A146       2.12148  -0.00025  -0.00013  -0.00132  -0.00145   2.12003
   A147       2.10837   0.00012   0.00034   0.00078   0.00112   2.10949
   A148       2.05348   0.00006  -0.00021  -0.00022  -0.00043   2.05306
   A149       2.12203  -0.00033  -0.00010  -0.00178  -0.00188   2.12015
   A150       2.10763   0.00027   0.00031   0.00201   0.00231   2.10994
   A151       2.12181  -0.00052   0.00006  -0.00153  -0.00146   2.12035
   A152       2.07529   0.00048  -0.00014   0.00155   0.00141   2.07669
   A153       2.08608   0.00005   0.00008  -0.00002   0.00006   2.08614
   A154       2.10335   0.00013   0.00002   0.00087   0.00088   2.10423
   A155       2.08723  -0.00007  -0.00008  -0.00068  -0.00076   2.08647
   A156       2.09258  -0.00006   0.00006  -0.00017  -0.00011   2.09247
   A157       2.07974  -0.00003   0.00002  -0.00001   0.00001   2.07975
   A158       2.09870   0.00017  -0.00018   0.00032   0.00014   2.09884
   A159       2.10474  -0.00014   0.00016  -0.00031  -0.00015   2.10459
   A160       2.07944   0.00001   0.00004   0.00018   0.00022   2.07965
   A161       2.09878   0.00017  -0.00017   0.00039   0.00021   2.09899
   A162       2.10497  -0.00018   0.00014  -0.00058  -0.00044   2.10453
   A163       2.10356   0.00013   0.00001   0.00060   0.00060   2.10417
   A164       2.09257  -0.00008   0.00007  -0.00013  -0.00006   2.09251
   A165       2.08702  -0.00005  -0.00008  -0.00046  -0.00054   2.08648
   A166       2.12152  -0.00048   0.00005  -0.00147  -0.00142   2.12011
   A167       2.08670   0.00001   0.00006  -0.00023  -0.00017   2.08654
   A168       2.07495   0.00047  -0.00012   0.00170   0.00159   2.07654
   A169       2.05307   0.00015  -0.00018   0.00050   0.00032   2.05338
   A170       2.12459  -0.00026  -0.00010  -0.00133  -0.00143   2.12316
   A171       2.10548   0.00010   0.00028   0.00083   0.00111   2.10659
   A172       2.05332   0.00015  -0.00018   0.00037   0.00019   2.05351
   A173       2.12263  -0.00025  -0.00012  -0.00125  -0.00137   2.12125
   A174       2.10719   0.00010   0.00030   0.00089   0.00118   2.10837
   A175       2.12192  -0.00049   0.00006  -0.00141  -0.00135   2.12056
   A176       2.07482   0.00046  -0.00012   0.00163   0.00151   2.07633
   A177       2.08645   0.00002   0.00005  -0.00021  -0.00016   2.08629
   A178       2.10305   0.00013   0.00001   0.00067   0.00068   2.10373
   A179       2.08741  -0.00006  -0.00007  -0.00052  -0.00059   2.08681
   A180       2.09270  -0.00007   0.00006  -0.00013  -0.00007   2.09263
   A181       2.07945  -0.00001   0.00003   0.00007   0.00010   2.07955
   A182       2.09862   0.00017  -0.00015   0.00046   0.00030   2.09892
   A183       2.10511  -0.00016   0.00013  -0.00054  -0.00041   2.10470
    D1        0.01435   0.00001  -0.00001   0.00019   0.00018   0.01454
    D2       -3.10698  -0.00010   0.00004  -0.00147  -0.00142  -3.10840
    D3       -3.12817   0.00002   0.00004   0.00009   0.00014  -3.12803
    D4        0.03368  -0.00009   0.00010  -0.00157  -0.00147   0.03222
    D5        0.01081  -0.00001  -0.00003  -0.00064  -0.00067   0.01014
    D6       -3.12106  -0.00003   0.00019   0.00133   0.00151  -3.11954
    D7       -3.12985  -0.00002  -0.00008  -0.00054  -0.00062  -3.13047
    D8        0.02147  -0.00004   0.00014   0.00143   0.00156   0.02303
    D9       -2.16144  -0.00085  -0.00106  -0.03278  -0.03384  -2.19528
   D10        0.97798  -0.00080  -0.00091  -0.03059  -0.03150   0.94648
   D11        0.97922  -0.00084  -0.00101  -0.03287  -0.03389   0.94534
   D12       -2.16455  -0.00079  -0.00086  -0.03068  -0.03154  -2.19609
   D13       -0.03183   0.00001   0.00013   0.00130   0.00144  -0.03039
   D14        3.13189   0.00003   0.00030   0.00027   0.00058   3.13247
   D15        3.08889   0.00013   0.00008   0.00298   0.00306   3.09195
   D16       -0.03057   0.00014   0.00025   0.00195   0.00220  -0.02837
   D17        0.02476  -0.00006  -0.00022  -0.00240  -0.00261   0.02215
   D18       -3.10202  -0.00023  -0.00055  -0.00923  -0.00977  -3.11179
   D19       -3.13844  -0.00007  -0.00038  -0.00137  -0.00176  -3.14020
   D20        0.01797  -0.00024  -0.00071  -0.00821  -0.00892   0.00904
   D21        3.10899   0.00011   0.00048   0.00451   0.00499   3.11398
   D22       -0.05239   0.00023   0.00093   0.00898   0.00990  -0.04248
   D23       -0.01010   0.00012   0.00065   0.00344   0.00410  -0.00600
   D24        3.11172   0.00024   0.00110   0.00791   0.00901   3.12072
   D25       -0.00044   0.00007   0.00019   0.00203   0.00222   0.00179
   D26        3.12611   0.00005   0.00008   0.00133   0.00141   3.12752
   D27        3.12642   0.00023   0.00052   0.00882   0.00934   3.13577
   D28       -0.03021   0.00021   0.00041   0.00812   0.00853  -0.02168
   D29       -0.01436  -0.00005  -0.00045  -0.00107  -0.00153  -0.01590
   D30        3.12179   0.00017  -0.00025   0.00770   0.00744   3.12923
   D31       -3.14117  -0.00022  -0.00078  -0.00789  -0.00868   3.13334
   D32       -0.00502   0.00000  -0.00058   0.00088   0.00029  -0.00472
   D33       -0.01764  -0.00003  -0.00006  -0.00048  -0.00054  -0.01818
   D34        3.11415  -0.00002  -0.00029  -0.00250  -0.00279   3.11136
   D35        3.13936  -0.00001   0.00006   0.00026   0.00032   3.13968
   D36       -0.01203   0.00000  -0.00017  -0.00176  -0.00193  -0.01396
   D37       -0.00153   0.00027   0.00058   0.01054   0.01113   0.00960
   D38       -3.13849   0.00027   0.00113   0.00925   0.01039  -3.12810
   D39       -3.12390   0.00017   0.00016   0.00624   0.00640  -3.11750
   D40        0.02232   0.00016   0.00071   0.00496   0.00566   0.02798
   D41        3.13342  -0.00010  -0.00066  -0.00322  -0.00388   3.12954
   D42       -0.03416  -0.00010  -0.00085  -0.00678  -0.00762  -0.04178
   D43       -0.02750   0.00001  -0.00023   0.00113   0.00090  -0.02660
   D44        3.08811   0.00002  -0.00042  -0.00243  -0.00285   3.08526
   D45        0.00513  -0.00056  -0.00175  -0.01988  -0.02162  -0.01649
   D46       -3.12619  -0.00064  -0.00199  -0.02622  -0.02823   3.12877
   D47       -3.14122  -0.00055  -0.00232  -0.01855  -0.02086   3.12110
   D48        0.01065  -0.00064  -0.00255  -0.02490  -0.02747  -0.01681
   D49       -0.00541  -0.00018  -0.00072  -0.00618  -0.00689  -0.01230
   D50        3.12311   0.00012  -0.00113   0.00378   0.00265   3.12576
   D51        3.14092  -0.00018  -0.00015  -0.00751  -0.00765   3.13327
   D52       -0.01374   0.00012  -0.00056   0.00246   0.00189  -0.01185
   D53        0.00264   0.00045   0.00170   0.01523   0.01692   0.01957
   D54       -3.13330   0.00022   0.00149   0.00613   0.00759  -3.12570
   D55        3.13437   0.00053   0.00192   0.02135   0.02327  -3.12555
   D56       -0.00157   0.00031   0.00172   0.01225   0.01394   0.01237
   D57        3.09867  -0.00000  -0.00200   0.00059  -0.00138   3.09729
   D58       -0.30089   0.00201  -0.00158   0.03758   0.03575  -0.26514
   D59       -0.34882  -0.00047   0.00750   0.00596   0.01365  -0.33517
   D60       -0.03291  -0.00008  -0.00223  -0.00559  -0.00781  -0.04072
   D61        2.85072   0.00193  -0.00180   0.03141   0.02932   2.88004
   D62        2.80278  -0.00055   0.00728  -0.00021   0.00722   2.81000
   D63       -3.10620  -0.00046  -0.00046  -0.01834  -0.01878  -3.12498
   D64        0.02981  -0.00024  -0.00025  -0.00933  -0.00957   0.02024
   D65        0.01509  -0.00018  -0.00025  -0.00614  -0.00639   0.00870
   D66       -3.12808  -0.00013  -0.00007  -0.00561  -0.00567  -3.13375
   D67       -3.10120  -0.00019  -0.00007  -0.00268  -0.00275  -3.10395
   D68        0.03882  -0.00014   0.00012  -0.00215  -0.00203   0.03679
   D69        0.00279   0.00016   0.00025   0.00490   0.00516   0.00794
   D70       -3.11675   0.00003   0.00049   0.00231   0.00280  -3.11395
   D71       -3.13722   0.00011   0.00006   0.00437   0.00443  -3.13279
   D72        0.02643  -0.00002   0.00030   0.00177   0.00208   0.02850
   D73       -2.26704  -0.00051  -0.00136  -0.02058  -0.02194  -2.28898
   D74        0.87752  -0.00054  -0.00130  -0.02124  -0.02254   0.85498
   D75        0.87296  -0.00046  -0.00117  -0.02004  -0.02121   0.85175
   D76       -2.26566  -0.00049  -0.00111  -0.02070  -0.02182  -2.28748
   D77       -0.00738   0.00002   0.00023   0.00123   0.00147  -0.00591
   D78       -3.13623  -0.00027   0.00063  -0.00844  -0.00782   3.13914
   D79        3.11227   0.00014  -0.00001   0.00374   0.00373   3.11600
   D80       -0.01658  -0.00014   0.00038  -0.00594  -0.00556  -0.02214
   D81        0.03779  -0.00017   0.00132  -0.00302  -0.00167   0.03612
   D82       -3.09727  -0.00024   0.00145  -0.00442  -0.00294  -3.10021
   D83       -2.87770  -0.00140   0.00072  -0.03152  -0.03104  -2.90874
   D84        0.27042  -0.00147   0.00085  -0.03292  -0.03231   0.23811
   D85       -2.85910   0.00037  -0.00684  -0.00620  -0.01293  -2.87203
   D86        0.28903   0.00030  -0.00671  -0.00760  -0.01420   0.27483
   D87       -0.00851   0.00021   0.00022   0.00616   0.00634  -0.00217
   D88       -3.13090   0.00006   0.00004   0.00313   0.00316  -3.12774
   D89        3.12666   0.00028   0.00010   0.00754   0.00760   3.13426
   D90        0.00427   0.00014  -0.00009   0.00452   0.00442   0.00869
   D91        3.14113  -0.00005  -0.00003  -0.00238  -0.00241   3.13872
   D92       -0.04694   0.00019   0.00065   0.00516   0.00582  -0.04112
   D93        0.00616  -0.00012   0.00009  -0.00381  -0.00371   0.00246
   D94        3.10128   0.00011   0.00077   0.00372   0.00452   3.10580
   D95       -0.02457  -0.00003  -0.00071   0.00014  -0.00057  -0.02514
   D96        3.09782   0.00012  -0.00052   0.00317   0.00262   3.10044
   D97       -0.00913  -0.00006   0.00006  -0.00197  -0.00191  -0.01104
   D98        3.11349   0.00002  -0.00011  -0.00126  -0.00138   3.11211
   D99       -3.13180  -0.00020  -0.00013  -0.00493  -0.00503  -3.13683
   D100      -0.00918  -0.00012  -0.00030  -0.00422  -0.00450  -0.01368
   D101      -0.01192   0.00003  -0.00007   0.00061   0.00054  -0.01138
   D102       3.10986   0.00008   0.00010   0.00052   0.00061   3.11047
   D103      -3.10550  -0.00023  -0.00077  -0.00735  -0.00811  -3.11361
   D104       0.01628  -0.00018  -0.00060  -0.00745  -0.00803   0.00824
   D105       0.00713   0.00004   0.00003   0.00193   0.00197   0.00910
   D106       3.13482  -0.00005  -0.00002  -0.00134  -0.00135   3.13347
   D107      -3.11485  -0.00001  -0.00014   0.00200   0.00186  -3.11299
   D108       0.01284  -0.00010  -0.00019  -0.00128  -0.00146   0.01138
   D109       0.00365  -0.00003  -0.00003  -0.00122  -0.00125   0.00240
   D110      -3.11831  -0.00012   0.00014  -0.00195  -0.00180  -3.12011
   D111      -3.12381   0.00006   0.00002   0.00211   0.00214  -3.12167
   D112       0.03742  -0.00003   0.00020   0.00138   0.00158   0.03900
   D113      -2.20995  -0.00064  -0.00125  -0.02599  -0.02724  -2.23719
   D114       0.92544  -0.00063  -0.00137  -0.02578  -0.02715   0.89829
   D115       0.91762  -0.00074  -0.00130  -0.02931  -0.03061   0.88701
   D116      -2.23018  -0.00073  -0.00142  -0.02910  -0.03052  -2.26069
   D117       3.13904   0.00003   0.00003   0.00075   0.00078   3.13982
   D118       0.02390   0.00008   0.00024   0.00556   0.00579   0.02968
   D119      -0.00069  -0.00001  -0.00009  -0.00113  -0.00123  -0.00192
   D120      -3.11583   0.00004   0.00011   0.00368   0.00378  -3.11205
   D121      -3.14127  -0.00004  -0.00013  -0.00107  -0.00121   3.14071
   D122       0.02843   0.00001  -0.00000   0.00320   0.00319   0.03162
   D123      -0.00155   0.00001  -0.00000   0.00081   0.00080  -0.00074
   D124      -3.11503   0.00005   0.00013   0.00507   0.00520  -3.10983
   D125       3.13921  -0.00000  -0.00005  -0.00023  -0.00028   3.13892
   D126       0.03424   0.00007   0.00016   0.00525   0.00540   0.03964
   D127      -0.00492   0.00003  -0.00010   0.00034   0.00024  -0.00468
   D128      -3.10989   0.00010   0.00012   0.00582   0.00592  -3.10397
   D129       3.14085  -0.00001  -0.00003  -0.00004  -0.00007   3.14078
   D130       0.03657   0.00009   0.00030   0.00654   0.00683   0.04340
   D131       0.00179  -0.00003   0.00001  -0.00060  -0.00059   0.00121
   D132      -3.10248   0.00007   0.00034   0.00598   0.00632  -3.09617
   D133       3.13172  -0.00004  -0.00020  -0.00165  -0.00184   3.12988
   D134       0.02250   0.00004   0.00000   0.00363   0.00363   0.02613
   D135      -0.00456  -0.00005  -0.00009  -0.00183  -0.00193  -0.00648
   D136      -3.11378   0.00003   0.00011   0.00345   0.00355  -3.11023
   D137      -3.13451   0.00004   0.00012   0.00144   0.00155  -3.13296
   D138       0.03746   0.00014   0.00031   0.00748   0.00779   0.04525
   D139       0.00179   0.00005   0.00001   0.00162   0.00163   0.00342
   D140      -3.10942   0.00015   0.00021   0.00767   0.00787  -3.10156
   D141       0.00604  -0.00001   0.00014   0.00005   0.00019   0.00623
   D142      -3.12505   0.00001  -0.00009  -0.00013  -0.00021  -3.12526
   D143       3.11465  -0.00011  -0.00006  -0.00502  -0.00509   3.10956
   D144      -0.01644  -0.00010  -0.00029  -0.00519  -0.00549  -0.02193
   D145       3.11790  -0.00000  -0.00010  -0.00168  -0.00177   3.11614
   D146      -0.01623  -0.00005   0.00008  -0.00135  -0.00126  -0.01749
   D147       0.01696   0.00009   0.00015   0.00444   0.00460   0.02156
   D148      -3.11717   0.00005   0.00032   0.00478   0.00511  -3.11207
   D149      -0.00487  -0.00001  -0.00013  -0.00040  -0.00054  -0.00541
   D150       3.12285  -0.00004   0.00006  -0.00081  -0.00076   3.12210
   D151       3.12419  -0.00003   0.00014  -0.00022  -0.00009   3.12411
   D152      -0.03127  -0.00006   0.00033  -0.00063  -0.00030  -0.03157
   D153       0.00350   0.00005   0.00018   0.00254   0.00272   0.00622
   D154      -3.14139   0.00001   0.00017   0.00106   0.00124  -3.14015
   D155      -3.12430   0.00007  -0.00012   0.00233   0.00221  -3.12210
   D156       0.01400   0.00003  -0.00013   0.00085   0.00072   0.01472
   D157       0.00194   0.00003   0.00008   0.00061   0.00069   0.00263
   D158       3.10995  -0.00009  -0.00023  -0.00535  -0.00558   3.10437
   D159      -3.12805   0.00004  -0.00009   0.00095   0.00086  -3.12718
   D160      -0.02003  -0.00007  -0.00039  -0.00501  -0.00541  -0.02544
   D161      -3.12131   0.00006   0.00004   0.00317   0.00321  -3.11810
   D162       0.01549   0.00003  -0.00004   0.00143   0.00139   0.01687
   D163       0.00502   0.00004   0.00026   0.00273   0.00299   0.00801
   D164      -3.14137   0.00000   0.00017   0.00099   0.00116  -3.14021
   D165       3.11934  -0.00005  -0.00018  -0.00318  -0.00336   3.11598
   D166      -0.00621  -0.00013   0.00004  -0.00386  -0.00381  -0.01003
   D167       0.01913   0.00007   0.00019   0.00414   0.00433   0.02345
   D168      -3.10643  -0.00000   0.00041   0.00346   0.00387  -3.10255
   D169       0.00258   0.00001   0.00015   0.00101   0.00116   0.00375
   D170      -3.13091   0.00003  -0.00006   0.00085   0.00080  -3.13011
   D171       3.12029  -0.00006  -0.00004  -0.00343  -0.00348   3.11681
   D172      -0.01320  -0.00005  -0.00025  -0.00358  -0.00384  -0.01704
   D173       3.12560  -0.00003  -0.00012  -0.00254  -0.00265   3.12295
   D174      -0.00642  -0.00009   0.00001  -0.00349  -0.00347  -0.00989
   D175       0.01338   0.00005   0.00011   0.00284   0.00296   0.01634
   D176      -3.11864  -0.00002   0.00024   0.00189   0.00214  -3.11650
   D177      -0.00347  -0.00001  -0.00015  -0.00051  -0.00066  -0.00413
   D178       3.12793  -0.00003   0.00011  -0.00061  -0.00050   3.12743
   D179       3.12841  -0.00003   0.00010  -0.00034  -0.00024   3.12817
   D180      -0.02337  -0.00005   0.00036  -0.00044  -0.00008  -0.02345
   D181       0.00262   0.00004   0.00016   0.00219   0.00235   0.00497
   D182      -3.14149  -0.00001   0.00015   0.00066   0.00081  -3.14067
   D183      -3.12829   0.00006  -0.00012   0.00200   0.00188  -3.12641
   D184       0.01079   0.00001  -0.00013   0.00046   0.00034   0.01112
   D185       0.00311   0.00000   0.00010  -0.00018  -0.00008   0.00303
   D186       3.11929  -0.00005  -0.00003  -0.00407  -0.00410   3.11519
   D187      -3.12999   0.00001  -0.00012  -0.00010  -0.00022  -3.13021
   D188      -0.01381  -0.00004  -0.00025  -0.00399  -0.00424  -0.01806
   D189      -3.12705   0.00005  -0.00009   0.00237   0.00228  -3.12477
   D190       0.01198   0.00001  -0.00015   0.00060   0.00044   0.01243
   D191       0.00334   0.00003   0.00021   0.00226   0.00247   0.00581
   D192      -3.14082  -0.00001   0.00014   0.00050   0.00063  -3.14018
   D193       3.12366  -0.00002  -0.00009  -0.00160  -0.00168   3.12197
   D194      -0.00806  -0.00008   0.00008  -0.00187  -0.00179  -0.00985
   D195       0.01329   0.00004   0.00007   0.00315   0.00322   0.01651
   D196      -3.11843  -0.00002   0.00023   0.00289   0.00312  -3.11531
   D197       0.00547   0.00003   0.00013   0.00133   0.00146   0.00693
   D198      -3.12651   0.00004  -0.00005   0.00118   0.00113  -3.12538
   D199       3.11784  -0.00005  -0.00005  -0.00349  -0.00354   3.11429
   D200      -0.01414  -0.00005  -0.00024  -0.00364  -0.00388  -0.01802
   D201       3.11820  -0.00005  -0.00014  -0.00309  -0.00322   3.11498
   D202      -0.01269  -0.00011  -0.00003  -0.00375  -0.00378  -0.01647
   D203       0.01257   0.00004   0.00009   0.00280   0.00289   0.01546
   D204      -3.11832  -0.00002   0.00019   0.00214   0.00233  -3.11598
   D205      -0.00431  -0.00001  -0.00012  -0.00033  -0.00046  -0.00477
   D206       3.12651  -0.00005   0.00009  -0.00130  -0.00122   3.12528
   D207       3.12577  -0.00002   0.00010  -0.00016  -0.00007   3.12571
   D208      -0.02660  -0.00006   0.00030  -0.00113  -0.00083  -0.02742
   D209       0.00393   0.00003   0.00017   0.00216   0.00233   0.00627
   D210       3.14147   0.00000   0.00014   0.00078   0.00092  -3.14079
   D211      -3.12500   0.00004  -0.00007   0.00196   0.00189  -3.12311
   D212       0.01254   0.00001  -0.00010   0.00058   0.00048   0.01302
   D213       0.00159  -0.00003   0.00007  -0.00079  -0.00072   0.00087
   D214       3.11572  -0.00013  -0.00012  -0.00629  -0.00641   3.10931
   D215      -3.13101   0.00001  -0.00011   0.00002  -0.00009  -3.13109
   D216      -0.01687  -0.00010  -0.00029  -0.00549  -0.00578  -0.02266
   D217      -3.12679   0.00010  -0.00006   0.00390   0.00385  -3.12294
   D218       0.01195   0.00005  -0.00010   0.00175   0.00166   0.01361
   D219       0.00295   0.00005   0.00017   0.00284   0.00302   0.00597
   D220      -3.14150  -0.00000   0.00014   0.00069   0.00083  -3.14067
   D221       3.12618  -0.00003  -0.00006  -0.00212  -0.00217   3.12401
   D222      -0.00474  -0.00006   0.00003  -0.00204  -0.00201  -0.00675
   D223       0.01834   0.00009   0.00016   0.00461   0.00478   0.02312
   D224      -3.11258   0.00006   0.00025   0.00469   0.00495  -3.10763
   D225       0.00997  -0.00002   0.00006   0.00023   0.00029   0.01027
   D226       3.14080   0.00005   0.00009   0.00219   0.00228  -3.14011
   D227      -3.12680   0.00002   0.00015   0.00197   0.00212  -3.12468
   D228       0.00402   0.00009   0.00017   0.00394   0.00411   0.00813
   D229      -0.01077   0.00002  -0.00027  -0.00107  -0.00134  -0.01211
   D230       3.12757   0.00003  -0.00000   0.00015   0.00014   3.12772
   D231       3.14156  -0.00005  -0.00030  -0.00302  -0.00332   3.13824
   D232      -0.00328  -0.00005  -0.00003  -0.00181  -0.00184  -0.00512
   D233      -0.00384  -0.00004   0.00015  -0.00110  -0.00095  -0.00479
   D234       3.12189   0.00003  -0.00008  -0.00045  -0.00053   3.12136
   D235       3.14098  -0.00004  -0.00012  -0.00230  -0.00242   3.13856
   D236      -0.01647   0.00003  -0.00035  -0.00165  -0.00200  -0.01847
   D237      -0.00510  -0.00004   0.00010  -0.00120  -0.00109  -0.00619
   D238       3.13799  -0.00004  -0.00010  -0.00163  -0.00173   3.13625
   D239       3.12913   0.00000  -0.00007  -0.00154  -0.00161   3.12752
   D240      -0.01098   0.00000  -0.00027  -0.00198  -0.00224  -0.01322
   D241      -0.00747   0.00000  -0.00021  -0.00130  -0.00151  -0.00898
   D242      -3.14098  -0.00005  -0.00022  -0.00264  -0.00287   3.13934
   D243       3.13262   0.00000  -0.00001  -0.00086  -0.00086   3.13176
   D244      -0.00089  -0.00005  -0.00002  -0.00220  -0.00223  -0.00311
   D245       0.00814  -0.00000   0.00006   0.00060   0.00066   0.00881
   D246      -3.13014   0.00004   0.00007   0.00208   0.00215  -3.12799
   D247      -3.14155   0.00005   0.00008   0.00195   0.00202  -3.13953
   D248       0.00334   0.00009   0.00009   0.00343   0.00352   0.00686
   D249       0.00700  -0.00002   0.00002   0.00012   0.00013   0.00714
   D250       3.14113   0.00005   0.00006   0.00181   0.00187  -3.14018
   D251      -3.13202   0.00002   0.00008   0.00189   0.00197  -3.13004
   D252       0.00211   0.00008   0.00013   0.00359   0.00371   0.00582
   D253      -0.00746   0.00002  -0.00021  -0.00092  -0.00113  -0.00859
   D254       3.13234   0.00002   0.00005   0.00000   0.00005   3.13239
   D255       3.14157  -0.00004  -0.00025  -0.00261  -0.00286   3.13871
   D256      -0.00181  -0.00004   0.00000  -0.00169  -0.00168  -0.00349
   D257      -0.00272  -0.00003   0.00016  -0.00070  -0.00053  -0.00325
   D258       3.12908   0.00003   0.00000  -0.00045  -0.00045   3.12863
   D259       3.14066  -0.00003  -0.00009  -0.00162  -0.00171   3.13895
   D260      -0.01074   0.00003  -0.00025  -0.00137  -0.00162  -0.01235
   D261      -0.00340  -0.00003   0.00011  -0.00080  -0.00069  -0.00409
   D262       3.14096  -0.00003  -0.00013  -0.00165  -0.00178   3.13917
   D263       3.12870   0.00004  -0.00002   0.00012   0.00010   3.12881
   D264      -0.01012   0.00004  -0.00026  -0.00073  -0.00099  -0.01112
   D265      -0.00688   0.00002  -0.00019  -0.00048  -0.00068  -0.00756
   D266      -3.14056  -0.00004  -0.00025  -0.00258  -0.00283   3.13980
   D267       3.13192   0.00003   0.00004   0.00038   0.00043   3.13235
   D268      -0.00175  -0.00004  -0.00001  -0.00171  -0.00173  -0.00348
   D269       0.00715  -0.00003   0.00005  -0.00023  -0.00018   0.00698
   D270      -3.13192   0.00002   0.00006   0.00131   0.00137  -3.13055
   D271       3.14080   0.00004   0.00011   0.00187   0.00198  -3.14040
   D272       0.00173   0.00008   0.00012   0.00341   0.00353   0.00526
   D273       0.00867  -0.00001   0.00006   0.00043   0.00048   0.00915
   D274       3.14139   0.00003   0.00010   0.00139   0.00148  -3.14031
   D275      -3.13006   0.00005   0.00010   0.00258   0.00268  -3.12738
   D276       0.00267   0.00008   0.00013   0.00354   0.00368   0.00634
   D277      -0.00700   0.00000  -0.00019  -0.00125  -0.00144  -0.00844
   D278       3.13074  -0.00001   0.00004  -0.00087  -0.00082   3.12992
   D279      -3.13975  -0.00003  -0.00023  -0.00222  -0.00244   3.14099
   D280      -0.00201  -0.00005   0.00000  -0.00183  -0.00183  -0.00384
   D281      -0.00648  -0.00004   0.00007  -0.00124  -0.00117  -0.00764
   D282       3.12456  -0.00001  -0.00001  -0.00133  -0.00134   3.12322
   D283       3.13894  -0.00002  -0.00015  -0.00162  -0.00177   3.13717
   D284      -0.01320   0.00000  -0.00024  -0.00171  -0.00195  -0.01516
   D285      -0.00121  -0.00003   0.00013  -0.00058  -0.00044  -0.00166
   D286      -3.14108  -0.00003  -0.00012  -0.00153  -0.00165   3.14046
   D287       3.12978   0.00003   0.00003   0.00006   0.00009   3.12987
   D288      -0.01009   0.00003  -0.00022  -0.00089  -0.00111  -0.01120
   D289      -0.00873   0.00002  -0.00020  -0.00080  -0.00100  -0.00973
   D290       3.14100  -0.00005  -0.00027  -0.00277  -0.00304   3.13796
   D291       3.13113   0.00002   0.00005   0.00016   0.00021   3.13133
   D292      -0.00233  -0.00004  -0.00002  -0.00181  -0.00183  -0.00416
   D293       0.00718  -0.00002   0.00004  -0.00001   0.00003   0.00721
   D294      -3.13034   0.00001   0.00007   0.00138   0.00145  -3.12890
   D295       3.14061   0.00005   0.00011   0.00196   0.00207  -3.14050
   D296       0.00309   0.00008   0.00014   0.00335   0.00349   0.00658
         Item               Value     Threshold  Converged?
 Maximum Force            0.002696     0.000450     NO 
 RMS     Force            0.000508     0.000300     NO 
 Maximum Displacement     0.305505     0.001800     NO 
 RMS     Displacement     0.063312     0.001200     NO 
 Predicted change in Energy=-5.892470D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.024528    2.959512    0.155583
      2          6           0       -2.303797    1.599722    0.046318
      3          6           0       -1.276264    0.638105    0.036283
      4          6           0        0.062949    1.091946    0.103047
      5          6           0        0.332893    2.469507    0.203719
      6          6           0       -0.690424    3.397310    0.241255
      7          6           0       -1.554597   -0.803273   -0.067157
      8          6           0       -0.486264   -1.748265   -0.108189
      9          6           0        0.886622   -1.275777   -0.034642
     10          6           0        1.166839    0.137953    0.058350
     11          6           0       -2.872887   -1.283541   -0.109932
     12          6           0       -3.155474   -2.644065   -0.222023
     13          6           0       -2.097102   -3.567313   -0.284118
     14          6           0       -0.791345   -3.121835   -0.224313
     15          7           0        1.931296   -2.119358   -0.054093
     16          6           0        3.218066   -1.664092   -0.036016
     17          6           0        3.441376   -0.255022    0.049916
     18          7           0        2.404603    0.609496    0.109481
     19          6           0        4.321817   -2.550989   -0.106392
     20          6           0        5.595887   -2.036751   -0.087685
     21          6           0        5.832624   -0.631370   -0.012964
     22          6           0        4.767340    0.244088    0.053304
     23          7           0       -3.082603    3.900979    0.179244
     24          7           0       -4.494247   -3.088613   -0.271530
     25          7           0        7.163362   -0.157419    0.013174
     26          6           0       -5.041509   -4.126836    0.503208
     27          6           0       -6.411376   -4.271877    0.170017
     28          6           0       -6.706015   -3.288462   -0.853428
     29          6           0       -5.506314   -2.574906   -1.101466
     30          6           0       -3.212125    5.006261   -0.675254
     31          6           0       -4.400174    5.705481   -0.342411
     32          6           0       -5.012610    4.995938    0.763392
     33          6           0       -4.176888    3.888609    1.057956
     34          6           0        7.703677    0.733510    0.956378
     35          6           0        9.070577    0.949397    0.648676
     36          6           0        9.368526    0.165075   -0.533776
     37          6           0        8.173623   -0.504595   -0.898850
     38          6           0       -7.861456   -2.970875   -1.575178
     39          6           0       -7.807401   -1.962812   -2.533274
     40          6           0       -6.605774   -1.280450   -2.782440
     41          6           0       -5.440848   -1.575790   -2.076334
     42          6           0       -4.443220   -4.908211    1.495024
     43          6           0       -5.235612   -5.860418    2.133416
     44          6           0       -6.590082   -6.029736    1.802827
     45          6           0       -7.184194   -5.235477    0.826574
     46          6           0       -6.170163    5.206467    1.520920
     47          6           0       -6.473656    4.325777    2.554905
     48          6           0       -5.626104    3.243082    2.842620
     49          6           0       -4.468077    3.008910    2.103575
     50          6           0       -2.391452    5.415138   -1.729462
     51          6           0       -2.769210    6.553834   -2.438444
     52          6           0       -3.934970    7.267331   -2.113607
     53          6           0       -4.755163    6.846087   -1.070988
     54          6           0       10.521887   -0.012874   -1.305169
     55          6           0       10.469182   -0.841040   -2.422708
     56          6           0        9.272103   -1.482440   -2.780302
     57          6           0        8.108306   -1.321885   -2.030291
     58          6           0        7.101688    1.325154    2.069368
     59          6           0        7.888161    2.156602    2.864703
     60          6           0        9.239575    2.394573    2.565465
     61          6           0        9.836497    1.791003    1.462602
     62          1           0       -3.340500    1.305706   -0.048833
     63          1           0        1.367758    2.784095    0.266340
     64          1           0       -0.478005    4.455393    0.346918
     65          1           0       -3.707825   -0.601252   -0.028493
     66          1           0       -2.304438   -4.624942   -0.397116
     67          1           0        0.001988   -3.858581   -0.272349
     68          1           0        1.856691   -3.280836    0.125296
     69          1           0        4.136946   -3.618973   -0.137315
     70          1           0        6.448563   -2.706094   -0.111699
     71          1           0        4.913027    1.316877    0.091088
     72          1           0       -8.786186   -3.510458   -1.392097
     73          1           0       -8.697080   -1.705519   -3.099374
     74          1           0       -6.577608   -0.505294   -3.542564
     75          1           0       -4.516066   -1.053485   -2.292651
     76          1           0       -3.402443   -4.780446    1.770275
     77          1           0       -4.790071   -6.482365    2.904005
     78          1           0       -7.177307   -6.782721    2.318991
     79          1           0       -8.234745   -5.356497    0.578496
     80          1           0       -6.819687    6.049929    1.305030
     81          1           0       -7.369243    4.477122    3.149217
     82          1           0       -5.874523    2.571062    3.658795
     83          1           0       -3.814764    2.177062    2.341965
     84          1           0       -1.495709    4.864901   -1.996042
     85          1           0       -2.145968    6.892638   -3.260864
     86          1           0       -4.198487    8.151255   -2.685889
     87          1           0       -5.661973    7.391644   -0.826133
     88          1           0       11.444134    0.493754   -1.035835
     89          1           0       11.357295   -0.988563   -3.029042
     90          1           0        9.246726   -2.116351   -3.661675
     91          1           0        7.186612   -1.809533   -2.327410
     92          1           0        6.062550    1.140785    2.316976
     93          1           0        7.441351    2.628499    3.734808
     94          1           0        9.822173    3.050548    3.204567
     95          1           0       10.884634    1.965122    1.237075
     96         17           0        2.020381   -4.944850    0.503888
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462311           0.0188698           0.0146073
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7843.3144678807 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999999    0.001181    0.000275   -0.000177 Ang=   0.14 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58684240     A.U. after   12 cycles
            NFock= 12  Conv=0.77D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001632698    0.000675180   -0.000089969
      2        6           0.000454724   -0.000065465    0.000636009
      3        6           0.000392794    0.000642980    0.000162993
      4        6          -0.000923366   -0.000654455   -0.000307557
      5        6           0.000177559    0.000715670    0.000029535
      6        6           0.000556091   -0.000333469   -0.000366230
      7        6           0.000336130   -0.000418734    0.000289765
      8        6          -0.000587580    0.001211499    0.000559282
      9        6          -0.001978820   -0.000323129   -0.000157465
     10        6           0.000269886    0.000063067   -0.000450851
     11        6           0.000592660    0.000568458   -0.000257824
     12        6          -0.001360355   -0.001401846    0.000055242
     13        6          -0.000064424    0.000576164    0.000131302
     14        6           0.000209757   -0.000658593   -0.000661614
     15        7           0.003225181   -0.002813237    0.003383100
     16        6          -0.000307323    0.001515591   -0.000578032
     17        6           0.000489831   -0.000520163   -0.000618989
     18        7          -0.000313423   -0.000693832   -0.000204650
     19        6          -0.000339715   -0.000313240    0.000935070
     20        6          -0.000291396    0.000211227   -0.000416958
     21        6           0.002051330    0.000811652    0.000015768
     22        6          -0.000818517   -0.000356615    0.000274959
     23        7           0.001064563   -0.000659180   -0.000076326
     24        7           0.001115886    0.000877259   -0.000178534
     25        7          -0.001543252   -0.000909389   -0.000107762
     26        6          -0.000513400   -0.000537666   -0.000516779
     27        6           0.000721176    0.000485011   -0.000341834
     28        6           0.000631412    0.000389864    0.000476873
     29        6          -0.000721658   -0.000184152    0.000516021
     30        6          -0.000319270    0.000473430    0.000846380
     31        6           0.000664925   -0.000362081    0.000393067
     32        6           0.000727046   -0.000380603   -0.000388433
     33        6          -0.000736488   -0.000014659   -0.000697963
     34        6           0.000351259    0.000806760   -0.000421207
     35        6          -0.000714556   -0.000382454   -0.000431452
     36        6          -0.000616462   -0.000492625    0.000305128
     37        6           0.000789693   -0.000084984    0.000662822
     38        6          -0.000002862   -0.000257744    0.000139819
     39        6           0.000282875    0.000076779   -0.000056800
     40        6          -0.000013200    0.000348913   -0.000062467
     41        6           0.000014540   -0.000490546    0.000067186
     42        6          -0.000267458    0.000248212    0.000034385
     43        6           0.000201254   -0.000204393    0.000127387
     44        6           0.000155402    0.000198270    0.000075887
     45        6          -0.000175410    0.000001621   -0.000079318
     46        6          -0.000046899    0.000219283   -0.000125831
     47        6           0.000256382   -0.000020204    0.000034006
     48        6           0.000047408   -0.000321938    0.000087929
     49        6          -0.000120276    0.000409538   -0.000073589
     50        6          -0.000350702   -0.000204108   -0.000005967
     51        6           0.000244094    0.000192984   -0.000130544
     52        6           0.000186398   -0.000180814   -0.000058992
     53        6          -0.000166919   -0.000044632    0.000124103
     54        6           0.000026076    0.000223673    0.000169615
     55        6          -0.000276911   -0.000067779   -0.000058267
     56        6           0.000040884   -0.000260893   -0.000129754
     57        6           0.000027968    0.000453147    0.000111597
     58        6           0.000449905   -0.000123583   -0.000115143
     59        6          -0.000245998    0.000124680    0.000134707
     60        6          -0.000167290   -0.000207207    0.000022208
     61        6           0.000206452   -0.000051644   -0.000159186
     62        1          -0.000126872    0.000110872    0.000123793
     63        1          -0.000188276    0.000002937   -0.000047036
     64        1           0.000028520   -0.000103343   -0.000011979
     65        1           0.000031368   -0.000053124   -0.000158414
     66        1           0.000102427    0.000086165   -0.000137239
     67        1           0.000881562   -0.000411983    0.000208284
     68        1          -0.000534019    0.003195891   -0.002127155
     69        1          -0.000157732   -0.000428304   -0.000005469
     70        1          -0.000126059   -0.000122879    0.000051718
     71        1          -0.000047592   -0.000079665   -0.000043142
     72        1          -0.000032465    0.000098391   -0.000119794
     73        1          -0.000022260   -0.000046776    0.000059741
     74        1          -0.000053574   -0.000162794    0.000030723
     75        1           0.000029427    0.000096980    0.000057002
     76        1          -0.000187178   -0.000153254    0.000005540
     77        1          -0.000168923   -0.000015334   -0.000037520
     78        1          -0.000027853   -0.000004566   -0.000071828
     79        1           0.000062261   -0.000094129    0.000151632
     80        1          -0.000034301   -0.000089697    0.000132054
     81        1          -0.000029529    0.000036229   -0.000064926
     82        1          -0.000065019    0.000150563   -0.000041605
     83        1          -0.000006954   -0.000074565   -0.000009491
     84        1          -0.000135255    0.000091034    0.000026145
     85        1          -0.000187183   -0.000002021    0.000030596
     86        1          -0.000047989   -0.000002599    0.000056444
     87        1           0.000057388    0.000087868   -0.000152390
     88        1           0.000039623   -0.000069537   -0.000140705
     89        1           0.000026615    0.000034098    0.000071149
     90        1           0.000046327    0.000148524    0.000061748
     91        1           0.000050518    0.000009606   -0.000038246
     92        1           0.000014559    0.000080585    0.000017396
     93        1           0.000156010   -0.000003213   -0.000046930
     94        1           0.000045591    0.000010697   -0.000056436
     95        1          -0.000060082    0.000047794    0.000134413
     96       17          -0.000677993    0.000104691   -0.000383929
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003383100 RMS     0.000583732

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002668235 RMS     0.000295425
 Search for a local minimum.
 Step number  12 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11   12
 DE= -7.57D-04 DEPred=-5.89D-04 R= 1.28D+00
 TightC=F SS=  1.41D+00  RLast= 1.76D-01 DXNew= 5.0454D+00 5.2782D-01
 Trust test= 1.28D+00 RLast= 1.76D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00798   0.02118   0.02183   0.02701   0.02707
     Eigenvalues ---    0.02725   0.02730   0.02736   0.02745   0.02751
     Eigenvalues ---    0.02754   0.02756   0.02769   0.02771   0.02781
     Eigenvalues ---    0.02788   0.02791   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02797   0.02804   0.02814   0.02816   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02822   0.02829
     Eigenvalues ---    0.02831   0.02833   0.02837   0.02839   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02850
     Eigenvalues ---    0.02856   0.02859   0.02865   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02879   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02895   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02901   0.02907   0.02909
     Eigenvalues ---    0.02910   0.02938   0.02941   0.02944   0.02952
     Eigenvalues ---    0.02969   0.03019   0.03022   0.03030   0.03097
     Eigenvalues ---    0.03127   0.03129   0.03135   0.03144   0.03164
     Eigenvalues ---    0.03275   0.03459   0.04130   0.05580   0.12054
     Eigenvalues ---    0.15420   0.15926   0.15984   0.15994   0.15996
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16025
     Eigenvalues ---    0.16034   0.16066   0.16150   0.20164   0.21848
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22354   0.22433   0.22465   0.22597   0.22600
     Eigenvalues ---    0.22602   0.22604   0.22625   0.22637   0.22960
     Eigenvalues ---    0.23495   0.23510   0.23795   0.24115   0.24484
     Eigenvalues ---    0.24486   0.24512   0.24522   0.24532   0.24625
     Eigenvalues ---    0.24654   0.24678   0.24895   0.24976   0.24978
     Eigenvalues ---    0.24983   0.24985   0.24988   0.24993   0.24995
     Eigenvalues ---    0.24998   0.25000   0.25000   0.25007   0.25040
     Eigenvalues ---    0.25091   0.25473   0.27141   0.30264   0.31052
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33317   0.33328   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33681
     Eigenvalues ---    0.33843   0.33858   0.33872   0.33884   0.33897
     Eigenvalues ---    0.33903   0.33915   0.33937   0.33954   0.34334
     Eigenvalues ---    0.34591   0.34785   0.35961   0.44449   0.44471
     Eigenvalues ---    0.44606   0.45233   0.47027   0.48179   0.48533
     Eigenvalues ---    0.48956   0.48964   0.49617   0.49700   0.50163
     Eigenvalues ---    0.50325   0.50375   0.50402   0.50599   0.50619
     Eigenvalues ---    0.50687   0.50996   0.52738   0.52908   0.53254
     Eigenvalues ---    0.54076   0.54090   0.54192   0.54194   0.54210
     Eigenvalues ---    0.54273   0.54773   0.54898   0.55035   0.55356
     Eigenvalues ---    0.55499   0.55616   0.55729   0.55903   0.55926
     Eigenvalues ---    0.55962   0.56126   0.56137   0.56147   0.56259
     Eigenvalues ---    0.56349   0.56563   0.56662   0.56664   0.56665
     Eigenvalues ---    0.56676   0.56680   0.56696   0.56714   0.56890
     Eigenvalues ---    0.56913   0.56914   0.57110   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57175   0.57179   0.59920   0.60484
     Eigenvalues ---    0.62244   0.64458   0.65978   0.66073   0.67599
     Eigenvalues ---    0.67719   0.67934   0.69785   0.69859   0.69981
     Eigenvalues ---    0.73911   0.76151
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    12   11   10
 RFO step:  Lambda=-7.16791464D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.07115   -0.79816   -0.27298
 Iteration  1 RMS(Cart)=  0.09341799 RMS(Int)=  0.00117471
 Iteration  2 RMS(Cart)=  0.00344416 RMS(Int)=  0.00024972
 Iteration  3 RMS(Cart)=  0.00000379 RMS(Int)=  0.00024972
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00024972
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63138  -0.00017  -0.00141   0.00089  -0.00051   2.63087
    R2        2.65830   0.00028  -0.00305   0.00243  -0.00060   2.65770
    R3        2.67678  -0.00121  -0.00103  -0.00190  -0.00292   2.67386
    R4        2.65950  -0.00015  -0.00198   0.00049  -0.00150   2.65801
    R5        2.04427   0.00004   0.00057  -0.00074  -0.00017   2.04410
    R6        2.67509  -0.00052  -0.00435   0.00122  -0.00311   2.67198
    R7        2.78101   0.00038   0.00280   0.00015   0.00296   2.78397
    R8        2.65954   0.00037   0.00022   0.00057   0.00079   2.66032
    R9        2.75840   0.00024  -0.00084   0.00080  -0.00002   2.75838
   R10        2.61125  -0.00029  -0.00149  -0.00002  -0.00150   2.60974
   R11        2.04740  -0.00017   0.00020  -0.00060  -0.00040   2.04699
   R12        2.04914  -0.00010   0.00074  -0.00109  -0.00035   2.04878
   R13        2.69644  -0.00085  -0.00358  -0.00061  -0.00424   2.69220
   R14        2.65261  -0.00042  -0.00120  -0.00035  -0.00156   2.65105
   R15        2.74724  -0.00135   0.00325  -0.00458  -0.00137   2.74588
   R16        2.66797   0.00064  -0.00134   0.00186   0.00050   2.66847
   R17        2.72920  -0.00073  -0.00378  -0.00015  -0.00401   2.72519
   R18        2.53769   0.00040  -0.00099   0.00071  -0.00011   2.53759
   R19        2.50489  -0.00026  -0.00080   0.00062  -0.00041   2.50447
   R20        2.63442   0.00052  -0.00312   0.00302  -0.00008   2.63434
   R21        2.04341  -0.00006   0.00055  -0.00110  -0.00055   2.04286
   R22        2.65666   0.00014  -0.00131   0.00161   0.00033   2.65698
   R23        2.66738  -0.00124  -0.00150  -0.00171  -0.00321   2.66417
   R24        2.60962  -0.00008  -0.00109   0.00010  -0.00098   2.60864
   R25        2.04784  -0.00007   0.00010  -0.00065  -0.00055   2.04729
   R26        2.04796   0.00096  -0.00276   0.00472   0.00196   2.04992
   R27        2.57958  -0.00119  -0.00142  -0.00244  -0.00362   2.57596
   R28        2.22537  -0.00267   0.00268  -0.01381  -0.00830   2.21707
   R29        5.44513  -0.00118   0.04317  -0.03460   0.00570   5.45082
   R30        2.70087  -0.00108  -0.00160  -0.00184  -0.00334   2.69753
   R31        2.67902  -0.00052  -0.00143  -0.00098  -0.00237   2.67665
   R32        2.55347   0.00040   0.00145   0.00039   0.00166   2.55512
   R33        2.67735  -0.00053  -0.00073  -0.00100  -0.00174   2.67561
   R34        2.59660  -0.00010  -0.00249   0.00101  -0.00148   2.59512
   R35        2.04904   0.00042  -0.00134   0.00235   0.00101   2.05005
   R36        2.69690   0.00017  -0.00104   0.00156   0.00049   2.69739
   R37        2.04898  -0.00006  -0.00033  -0.00041  -0.00074   2.04825
   R38        2.60868   0.00055  -0.00279   0.00324   0.00042   2.60910
   R39        2.66992  -0.00152  -0.00109  -0.00237  -0.00346   2.66646
   R40        2.04713  -0.00008   0.00037  -0.00083  -0.00046   2.04667
   R41        2.65141  -0.00015   0.00335  -0.00057   0.00278   2.65419
   R42        2.65219  -0.00017   0.00459  -0.00114   0.00345   2.65564
   R43        2.65748   0.00021   0.00357  -0.00003   0.00354   2.66102
   R44        2.65705  -0.00035   0.00560  -0.00187   0.00374   2.66078
   R45        2.65594   0.00010   0.00420  -0.00061   0.00359   2.65953
   R46        2.65434  -0.00003   0.00437  -0.00079   0.00359   2.65793
   R47        2.67821  -0.00067  -0.00430   0.00057  -0.00373   2.67448
   R48        2.64034   0.00002  -0.00298   0.00173  -0.00125   2.63910
   R49        2.73936  -0.00054  -0.00005  -0.00130  -0.00135   2.73801
   R50        2.64348   0.00012  -0.00138   0.00079  -0.00059   2.64289
   R51        2.67913  -0.00074  -0.00378   0.00001  -0.00377   2.67536
   R52        2.64348  -0.00003  -0.00116   0.00037  -0.00079   2.64268
   R53        2.64081  -0.00023  -0.00234   0.00083  -0.00150   2.63931
   R54        2.67992  -0.00066  -0.00431   0.00050  -0.00381   2.67611
   R55        2.64024  -0.00005  -0.00344   0.00176  -0.00168   2.63856
   R56        2.73934  -0.00060  -0.00013  -0.00136  -0.00149   2.73785
   R57        2.64415   0.00007  -0.00144   0.00073  -0.00071   2.64344
   R58        2.68007  -0.00072  -0.00377   0.00019  -0.00358   2.67649
   R59        2.64434   0.00000  -0.00122   0.00046  -0.00076   2.64358
   R60        2.64020  -0.00012  -0.00221   0.00105  -0.00116   2.63903
   R61        2.67895  -0.00069  -0.00390   0.00029  -0.00361   2.67534
   R62        2.63966  -0.00013  -0.00248   0.00115  -0.00132   2.63834
   R63        2.73986  -0.00062  -0.00029  -0.00137  -0.00166   2.73820
   R64        2.64387  -0.00001  -0.00134   0.00049  -0.00085   2.64301
   R65        2.67884  -0.00070  -0.00397   0.00024  -0.00373   2.67511
   R66        2.64356  -0.00001  -0.00126   0.00047  -0.00078   2.64278
   R67        2.64047  -0.00012  -0.00258   0.00118  -0.00140   2.63908
   R68        2.63009   0.00001  -0.00083   0.00037  -0.00046   2.62963
   R69        2.05259  -0.00006   0.00032  -0.00034  -0.00002   2.05257
   R70        2.65344  -0.00015  -0.00284   0.00084  -0.00200   2.65144
   R71        2.05120  -0.00002   0.00035  -0.00023   0.00012   2.05132
   R72        2.63403  -0.00010  -0.00004   0.00002  -0.00002   2.63400
   R73        2.05229  -0.00013   0.00033  -0.00059  -0.00026   2.05203
   R74        2.04825   0.00008  -0.00020  -0.00002  -0.00023   2.04803
   R75        2.63353   0.00003  -0.00020   0.00035   0.00015   2.63368
   R76        2.04868  -0.00022   0.00092  -0.00163  -0.00071   2.04797
   R77        2.65407  -0.00026  -0.00241   0.00036  -0.00205   2.65202
   R78        2.05201  -0.00011   0.00021  -0.00043  -0.00022   2.05180
   R79        2.62997  -0.00011  -0.00058  -0.00004  -0.00062   2.62935
   R80        2.05124  -0.00002   0.00038  -0.00025   0.00013   2.05137
   R81        2.05263  -0.00007   0.00030  -0.00035  -0.00005   2.05259
   R82        2.62994  -0.00006  -0.00086   0.00022  -0.00064   2.62931
   R83        2.05270  -0.00006   0.00029  -0.00031  -0.00003   2.05267
   R84        2.65461  -0.00015  -0.00285   0.00082  -0.00204   2.65258
   R85        2.05119  -0.00001   0.00032  -0.00020   0.00012   2.05131
   R86        2.63348  -0.00010  -0.00017   0.00006  -0.00012   2.63336
   R87        2.05230  -0.00012   0.00028  -0.00054  -0.00027   2.05204
   R88        2.04895   0.00004  -0.00026  -0.00013  -0.00039   2.04856
   R89        2.63343  -0.00000  -0.00033   0.00036   0.00003   2.63346
   R90        2.04944  -0.00016   0.00127  -0.00161  -0.00034   2.04911
   R91        2.65478  -0.00024  -0.00247   0.00045  -0.00202   2.65276
   R92        2.05241  -0.00012   0.00026  -0.00050  -0.00024   2.05217
   R93        2.63020  -0.00008  -0.00056   0.00003  -0.00054   2.62966
   R94        2.05126  -0.00001   0.00032  -0.00020   0.00012   2.05138
   R95        2.05267  -0.00006   0.00028  -0.00032  -0.00003   2.05264
   R96        2.63041  -0.00008  -0.00094   0.00021  -0.00073   2.62968
   R97        2.05255  -0.00006   0.00029  -0.00031  -0.00002   2.05253
   R98        2.65388  -0.00022  -0.00274   0.00067  -0.00207   2.65181
   R99        2.05116  -0.00001   0.00029  -0.00019   0.00010   2.05126
   R100       2.63393  -0.00006  -0.00017   0.00013  -0.00004   2.63389
   R101       2.05216  -0.00013   0.00021  -0.00051  -0.00030   2.05187
   R102       2.04894  -0.00003   0.00030  -0.00062  -0.00032   2.04862
   R103       2.63371  -0.00006  -0.00033   0.00023  -0.00010   2.63362
   R104       2.04851  -0.00004   0.00039  -0.00074  -0.00035   2.04817
   R105       2.65404  -0.00021  -0.00276   0.00068  -0.00208   2.65195
   R106       2.05225  -0.00012   0.00023  -0.00048  -0.00026   2.05200
   R107       2.62999  -0.00008  -0.00090   0.00022  -0.00068   2.62931
   R108       2.05118  -0.00001   0.00029  -0.00017   0.00011   2.05129
   R109       2.05257  -0.00006   0.00026  -0.00031  -0.00005   2.05252
   R110       3.23969   0.00085   0.03273  -0.02333   0.01227   3.25196
    A1        2.09313  -0.00027   0.00266  -0.00341  -0.00075   2.09238
    A2        2.09503  -0.00008   0.00085   0.00004   0.00089   2.09592
    A3        2.09502   0.00035  -0.00351   0.00337  -0.00014   2.09488
    A4        2.11926   0.00016  -0.00212   0.00214  -0.00000   2.11926
    A5        2.05388  -0.00025  -0.00006  -0.00119  -0.00123   2.05265
    A6        2.10989   0.00009   0.00220  -0.00099   0.00122   2.11111
    A7        2.06159   0.00005   0.00125  -0.00032   0.00094   2.06253
    A8        2.13133   0.00003  -0.00007  -0.00022  -0.00021   2.13113
    A9        2.09007  -0.00008  -0.00118   0.00048  -0.00080   2.08927
   A10        2.09283   0.00009  -0.00003  -0.00014  -0.00018   2.09264
   A11        2.09956  -0.00022   0.00079  -0.00041   0.00025   2.09981
   A12        2.09077   0.00013  -0.00066   0.00057  -0.00004   2.09072
   A13        2.11428  -0.00023   0.00007  -0.00065  -0.00060   2.11368
   A14        2.06185   0.00021  -0.00348   0.00243  -0.00104   2.06081
   A15        2.10695   0.00002   0.00339  -0.00180   0.00160   2.10855
   A16        2.08486   0.00020  -0.00177   0.00244   0.00068   2.08553
   A17        2.08909  -0.00007  -0.00429   0.00185  -0.00246   2.08663
   A18        2.10918  -0.00013   0.00603  -0.00430   0.00172   2.11090
   A19        2.10490  -0.00000  -0.00039   0.00002  -0.00053   2.10437
   A20        2.11165   0.00031  -0.00453   0.00404  -0.00037   2.11128
   A21        2.06654  -0.00030   0.00504  -0.00404   0.00098   2.06752
   A22        2.08329  -0.00003   0.00198  -0.00163   0.00016   2.08345
   A23        2.07705   0.00074  -0.00257   0.00432   0.00176   2.07881
   A24        2.12284  -0.00072   0.00060  -0.00270  -0.00194   2.12090
   A25        2.09975   0.00054  -0.00370   0.00447   0.00036   2.10011
   A26        2.12910  -0.00062   0.00388  -0.00385  -0.00003   2.12907
   A27        2.05433   0.00008  -0.00013  -0.00064  -0.00032   2.05401
   A28        2.08863  -0.00021   0.00266  -0.00293  -0.00042   2.08821
   A29        2.06292   0.00075  -0.00539   0.00638   0.00110   2.06402
   A30        2.13163  -0.00054   0.00274  -0.00344  -0.00074   2.13088
   A31        2.12555   0.00021  -0.00424   0.00327  -0.00102   2.12453
   A32        2.10247  -0.00006   0.00203  -0.00205  -0.00000   2.10247
   A33        2.05480  -0.00015   0.00210  -0.00114   0.00097   2.05577
   A34        2.08503  -0.00016   0.00165  -0.00228  -0.00064   2.08438
   A35        2.09722  -0.00029   0.00277  -0.00173   0.00103   2.09825
   A36        2.10094   0.00045  -0.00442   0.00402  -0.00040   2.10054
   A37        2.09218   0.00014   0.00034   0.00126   0.00159   2.09377
   A38        2.09614   0.00004  -0.00594   0.00314  -0.00278   2.09336
   A39        2.09470  -0.00017   0.00562  -0.00444   0.00118   2.09588
   A40        2.11968  -0.00063  -0.00030  -0.00258  -0.00297   2.11671
   A41        2.10234   0.00021  -0.00110   0.00154   0.00044   2.10278
   A42        2.06117   0.00042   0.00146   0.00105   0.00252   2.06369
   A43        2.12189   0.00026  -0.00165   0.00405   0.00124   2.12312
   A44        2.17497   0.00003  -0.00677   0.00407  -0.00246   2.17252
   A45        2.26170  -0.00189   0.01156  -0.01445  -0.00519   2.25651
   A46        1.96779  -0.00018   0.01580  -0.00688   0.00835   1.97614
   A47        1.87060   0.00168   0.00782   0.00710   0.01334   1.88394
   A48        2.06791  -0.00002   0.00229  -0.00265   0.00009   2.06800
   A49        2.12305  -0.00077   0.00208  -0.00296  -0.00120   2.12185
   A50        2.09221   0.00079  -0.00437   0.00562   0.00112   2.09333
   A51        2.11010  -0.00006  -0.00121   0.00022  -0.00096   2.10914
   A52        2.08711  -0.00021   0.00264  -0.00298  -0.00030   2.08681
   A53        2.08586   0.00028  -0.00136   0.00280   0.00134   2.08720
   A54        2.07965   0.00030  -0.00212   0.00292   0.00047   2.08012
   A55        2.07957  -0.00038   0.00382  -0.00394  -0.00007   2.07949
   A56        2.07699   0.00000   0.00205  -0.00110   0.00086   2.07785
   A57        2.12597   0.00038  -0.00535   0.00491  -0.00053   2.12544
   A58        2.12124   0.00001  -0.00160   0.00166   0.00008   2.12132
   A59        2.09191  -0.00017   0.00435  -0.00427   0.00007   2.09198
   A60        2.06987   0.00016  -0.00274   0.00255  -0.00019   2.06968
   A61        2.09326  -0.00030   0.00028  -0.00181  -0.00157   2.09169
   A62        2.08008   0.00024  -0.00140   0.00169   0.00029   2.08037
   A63        2.10972   0.00007   0.00107   0.00012   0.00120   2.11092
   A64        2.09289   0.00009  -0.00078   0.00142   0.00065   2.09354
   A65        2.06555  -0.00010   0.00020  -0.00188  -0.00169   2.06386
   A66        2.12460   0.00001   0.00058   0.00048   0.00105   2.12565
   A67        2.19243   0.00028  -0.00038   0.00135   0.00097   2.19341
   A68        2.19816  -0.00006   0.00271  -0.00086   0.00184   2.19999
   A69        1.89260  -0.00022  -0.00232  -0.00049  -0.00281   1.88978
   A70        2.19234   0.00050  -0.00197   0.00324   0.00126   2.19360
   A71        2.19980  -0.00027   0.00464  -0.00297   0.00166   2.20145
   A72        1.89105  -0.00022  -0.00266  -0.00027  -0.00292   1.88813
   A73        2.19834   0.00022   0.00074   0.00069   0.00142   2.19975
   A74        2.19261   0.00005   0.00153  -0.00015   0.00138   2.19399
   A75        1.89223  -0.00027  -0.00227  -0.00054  -0.00280   1.88943
   A76        1.89883  -0.00007   0.00070  -0.00010   0.00059   1.89943
   A77        2.26179   0.00017  -0.00513   0.00368  -0.00147   2.26032
   A78        2.12180  -0.00010   0.00418  -0.00363   0.00053   2.12232
   A79        1.86817   0.00008   0.00096  -0.00012   0.00085   1.86902
   A80        2.08765   0.00008  -0.00238   0.00215  -0.00024   2.08740
   A81        2.32731  -0.00016   0.00144  -0.00206  -0.00062   2.32669
   A82        1.86813   0.00011   0.00126  -0.00020   0.00107   1.86920
   A83        2.32701  -0.00008   0.00042  -0.00108  -0.00066   2.32635
   A84        2.08796  -0.00003  -0.00167   0.00125  -0.00042   2.08754
   A85        1.89858   0.00010  -0.00027   0.00069   0.00041   1.89899
   A86        2.26433  -0.00028  -0.00224   0.00066  -0.00161   2.26272
   A87        2.11944   0.00018   0.00220  -0.00137   0.00080   2.12024
   A88        1.89949   0.00003   0.00031   0.00043   0.00073   1.90022
   A89        2.25990   0.00006  -0.00462   0.00302  -0.00162   2.25828
   A90        2.12337  -0.00009   0.00415  -0.00349   0.00064   2.12402
   A91        1.86674   0.00006   0.00119  -0.00040   0.00080   1.86753
   A92        2.08547   0.00008  -0.00260   0.00221  -0.00039   2.08508
   A93        2.33095  -0.00013   0.00142  -0.00183  -0.00042   2.33052
   A94        1.86675   0.00010   0.00088   0.00001   0.00090   1.86765
   A95        2.33065  -0.00014   0.00101  -0.00174  -0.00074   2.32991
   A96        2.08575   0.00004  -0.00187   0.00171  -0.00016   2.08558
   A97        1.89920   0.00003  -0.00007   0.00046   0.00038   1.89958
   A98        2.26091  -0.00009  -0.00258   0.00164  -0.00095   2.25996
   A99        2.12262   0.00005   0.00251  -0.00215   0.00035   2.12297
   A100       1.89816  -0.00003   0.00004   0.00026   0.00029   1.89846
   A101       2.26210   0.00007  -0.00277   0.00219  -0.00060   2.26149
   A102       2.12231  -0.00004   0.00252  -0.00250   0.00000   2.12232
   A103       1.86793   0.00015   0.00104   0.00005   0.00109   1.86902
   A104       2.08655   0.00008  -0.00176   0.00187   0.00011   2.08666
   A105       2.32866  -0.00024   0.00074  -0.00194  -0.00120   2.32745
   A106       1.86750   0.00010   0.00130  -0.00034   0.00097   1.86847
   A107       2.32947  -0.00020   0.00058  -0.00169  -0.00111   2.32836
   A108       2.08617   0.00010  -0.00188   0.00200   0.00012   2.08629
   A109       1.89894   0.00004  -0.00013   0.00057   0.00043   1.89936
   A110       2.26104  -0.00001  -0.00257   0.00184  -0.00076   2.26028
   A111       2.12264  -0.00003   0.00249  -0.00249  -0.00003   2.12260
   A112       2.08006  -0.00007   0.00036  -0.00049  -0.00014   2.07992
   A113       2.09839   0.00019  -0.00056   0.00136   0.00080   2.09919
   A114       2.10471  -0.00011   0.00020  -0.00087  -0.00067   2.10404
   A115       2.10293   0.00008   0.00067   0.00001   0.00067   2.10361
   A116       2.09310  -0.00012   0.00040  -0.00091  -0.00051   2.09259
   A117       2.08712   0.00004  -0.00105   0.00090  -0.00015   2.08697
   A118       2.12040  -0.00024  -0.00112  -0.00030  -0.00142   2.11898
   A119       2.08662   0.00001  -0.00016  -0.00004  -0.00020   2.08642
   A120       2.07616   0.00022   0.00129   0.00034   0.00163   2.07778
   A121       2.05525   0.00008  -0.00057   0.00093   0.00036   2.05561
   A122       2.12200  -0.00006  -0.00221   0.00115  -0.00106   2.12094
   A123       2.10582  -0.00002   0.00277  -0.00207   0.00071   2.10653
   A124       2.05309   0.00018  -0.00203   0.00228   0.00025   2.05334
   A125       2.12399   0.00002  -0.00161   0.00141  -0.00020   2.12379
   A126       2.10608  -0.00020   0.00363  -0.00369  -0.00006   2.10602
   A127       2.12104  -0.00018  -0.00084  -0.00024  -0.00108   2.11996
   A128       2.07503   0.00023   0.00026   0.00101   0.00127   2.07630
   A129       2.08712  -0.00005   0.00058  -0.00077  -0.00019   2.08693
   A130       2.10366   0.00003   0.00102  -0.00062   0.00039   2.10405
   A131       2.08682   0.00005  -0.00112   0.00107  -0.00004   2.08678
   A132       2.09268  -0.00008   0.00011  -0.00045  -0.00035   2.09234
   A133       2.07890  -0.00000  -0.00007   0.00004  -0.00004   2.07886
   A134       2.09888   0.00018  -0.00054   0.00144   0.00090   2.09977
   A135       2.10540  -0.00018   0.00060  -0.00148  -0.00087   2.10453
   A136       2.07990  -0.00006   0.00035  -0.00044  -0.00009   2.07980
   A137       2.09888   0.00019  -0.00033   0.00129   0.00096   2.09983
   A138       2.10440  -0.00012  -0.00002  -0.00085  -0.00087   2.10353
   A139       2.10404   0.00006   0.00086  -0.00028   0.00058   2.10461
   A140       2.09265  -0.00010   0.00024  -0.00075  -0.00051   2.09214
   A141       2.08648   0.00005  -0.00108   0.00102  -0.00006   2.08642
   A142       2.12029  -0.00021  -0.00116  -0.00013  -0.00130   2.11899
   A143       2.08614  -0.00000  -0.00023  -0.00011  -0.00034   2.08580
   A144       2.07676   0.00021   0.00140   0.00024   0.00163   2.07839
   A145       2.05362   0.00012  -0.00074   0.00128   0.00054   2.05416
   A146       2.12003  -0.00003  -0.00228   0.00133  -0.00095   2.11908
   A147       2.10949  -0.00009   0.00301  -0.00261   0.00040   2.10990
   A148       2.05306   0.00020  -0.00156   0.00210   0.00054   2.05360
   A149       2.12015  -0.00006  -0.00255   0.00125  -0.00131   2.11884
   A150       2.10994  -0.00014   0.00411  -0.00335   0.00077   2.11071
   A151       2.12035  -0.00021  -0.00122  -0.00016  -0.00139   2.11896
   A152       2.07669   0.00025   0.00074   0.00090   0.00164   2.07833
   A153       2.08614  -0.00004   0.00049  -0.00074  -0.00025   2.08589
   A154       2.10423   0.00003   0.00106  -0.00059   0.00047   2.10470
   A155       2.08647   0.00006  -0.00125   0.00117  -0.00008   2.08639
   A156       2.09247  -0.00009   0.00021  -0.00059  -0.00038   2.09209
   A157       2.07975  -0.00001   0.00011  -0.00009   0.00002   2.07977
   A158       2.09884   0.00019  -0.00079   0.00158   0.00079   2.09962
   A159       2.10459  -0.00017   0.00068  -0.00149  -0.00081   2.10378
   A160       2.07965  -0.00006   0.00043  -0.00052  -0.00010   2.07956
   A161       2.09899   0.00019  -0.00071   0.00147   0.00076   2.09975
   A162       2.10453  -0.00013   0.00027  -0.00095  -0.00068   2.10385
   A163       2.10417   0.00004   0.00070  -0.00035   0.00034   2.10451
   A164       2.09251  -0.00010   0.00030  -0.00072  -0.00041   2.09210
   A165       2.08648   0.00006  -0.00099   0.00107   0.00007   2.08655
   A166       2.12011  -0.00019  -0.00122   0.00000  -0.00123   2.11888
   A167       2.08654  -0.00000   0.00016  -0.00028  -0.00012   2.08642
   A168       2.07654   0.00019   0.00108   0.00027   0.00134   2.07788
   A169       2.05338   0.00015  -0.00063   0.00133   0.00070   2.05408
   A170       2.12316  -0.00002  -0.00208   0.00140  -0.00068   2.12248
   A171       2.10659  -0.00013   0.00271  -0.00274  -0.00003   2.10656
   A172       2.05351   0.00016  -0.00076   0.00147   0.00071   2.05422
   A173       2.12125  -0.00002  -0.00211   0.00135  -0.00076   2.12050
   A174       2.10837  -0.00014   0.00287  -0.00281   0.00005   2.10842
   A175       2.12056  -0.00020  -0.00111  -0.00010  -0.00120   2.11936
   A176       2.07633   0.00020   0.00100   0.00042   0.00142   2.07775
   A177       2.08629  -0.00001   0.00011  -0.00032  -0.00021   2.08608
   A178       2.10373   0.00003   0.00078  -0.00041   0.00037   2.10410
   A179       2.08681   0.00006  -0.00102   0.00104   0.00002   2.08683
   A180       2.09263  -0.00009   0.00025  -0.00064  -0.00038   2.09224
   A181       2.07955  -0.00004   0.00025  -0.00033  -0.00008   2.07947
   A182       2.09892   0.00017  -0.00050   0.00127   0.00077   2.09969
   A183       2.10470  -0.00012   0.00024  -0.00094  -0.00070   2.10400
    D1        0.01454  -0.00002   0.00015  -0.00123  -0.00108   0.01345
    D2       -3.10840  -0.00004  -0.00128   0.00113  -0.00014  -3.10853
    D3       -3.12803   0.00002   0.00038   0.00001   0.00039  -3.12764
    D4        0.03222   0.00000  -0.00104   0.00238   0.00134   0.03356
    D5        0.01014  -0.00000  -0.00088  -0.00006  -0.00094   0.00920
    D6       -3.11954   0.00001   0.00264   0.00133   0.00395  -3.11559
    D7       -3.13047  -0.00004  -0.00112  -0.00130  -0.00242  -3.13289
    D8        0.02303  -0.00003   0.00240   0.00009   0.00247   0.02550
    D9       -2.19528  -0.00056  -0.04195  -0.00944  -0.05139  -2.24666
   D10        0.94648  -0.00057  -0.03863  -0.01051  -0.04913   0.89735
   D11        0.94534  -0.00052  -0.04171  -0.00819  -0.04991   0.89543
   D12       -2.19609  -0.00052  -0.03838  -0.00927  -0.04765  -2.24374
   D13       -0.03039   0.00005   0.00226   0.00185   0.00412  -0.02628
   D14        3.13247   0.00010   0.00224   0.00506   0.00733   3.13980
   D15        3.09195   0.00006   0.00370  -0.00059   0.00311   3.09506
   D16       -0.02837   0.00012   0.00368   0.00262   0.00632  -0.02205
   D17        0.02215  -0.00006  -0.00396  -0.00122  -0.00519   0.01696
   D18       -3.11179  -0.00016  -0.01340  -0.00268  -0.01609  -3.12789
   D19       -3.14020  -0.00011  -0.00393  -0.00436  -0.00831   3.13467
   D20        0.00904  -0.00021  -0.01336  -0.00582  -0.01921  -0.01017
   D21        3.11398   0.00007   0.00793  -0.00012   0.00781   3.12179
   D22       -0.04248   0.00014   0.01558   0.00179   0.01733  -0.02515
   D23       -0.00600   0.00012   0.00788   0.00315   0.01104   0.00504
   D24        3.12072   0.00019   0.01553   0.00506   0.02057   3.14129
   D25        0.00179   0.00004   0.00341  -0.00008   0.00333   0.00512
   D26        3.12752   0.00000   0.00195  -0.00101   0.00094   3.12847
   D27        3.13577   0.00014   0.01281   0.00137   0.01418  -3.13324
   D28       -0.02168   0.00010   0.01135   0.00044   0.01179  -0.00989
   D29       -0.01590   0.00005  -0.00404   0.00365  -0.00043  -0.01632
   D30        3.12923   0.00007   0.00665   0.00142   0.00797   3.13720
   D31        3.13334  -0.00006  -0.01347   0.00219  -0.01131   3.12202
   D32       -0.00472  -0.00003  -0.00279  -0.00004  -0.00291  -0.00763
   D33       -0.01818  -0.00001  -0.00091   0.00071  -0.00020  -0.01838
   D34        3.11136  -0.00002  -0.00452  -0.00065  -0.00519   3.10618
   D35        3.13968   0.00003   0.00064   0.00163   0.00228  -3.14123
   D36       -0.01396   0.00001  -0.00297   0.00027  -0.00271  -0.01667
   D37        0.00960   0.00014   0.01502   0.00177   0.01681   0.02641
   D38       -3.12810   0.00015   0.01718   0.00335   0.02053  -3.10757
   D39       -3.11750   0.00006   0.00769  -0.00016   0.00753  -3.10997
   D40        0.02798   0.00007   0.00985   0.00142   0.01126   0.03924
   D41        3.12954  -0.00007  -0.00769  -0.00235  -0.01002   3.11952
   D42       -0.04178  -0.00001  -0.01271   0.00084  -0.01186  -0.05364
   D43       -0.02660   0.00000  -0.00027  -0.00045  -0.00071  -0.02731
   D44        3.08526   0.00006  -0.00529   0.00274  -0.00255   3.08272
   D45       -0.01649  -0.00031  -0.03255  -0.00404  -0.03662  -0.05311
   D46        3.12877  -0.00025  -0.04089   0.00269  -0.03825   3.09053
   D47        3.12110  -0.00032  -0.03476  -0.00564  -0.04042   3.08068
   D48       -0.01681  -0.00026  -0.04310   0.00108  -0.04206  -0.05887
   D49       -0.01230  -0.00005  -0.01124  -0.00021  -0.01141  -0.02371
   D50        3.12576   0.00005  -0.00321   0.00131  -0.00189   3.12387
   D51        3.13327  -0.00004  -0.00903   0.00140  -0.00761   3.12566
   D52       -0.01185   0.00007  -0.00100   0.00293   0.00192  -0.00994
   D53        0.01957   0.00022   0.02721   0.00139   0.02861   0.04818
   D54       -3.12570   0.00020   0.01613   0.00373   0.01988  -3.10582
   D55       -3.12555   0.00016   0.03522  -0.00506   0.03018  -3.09537
   D56        0.01237   0.00014   0.02414  -0.00272   0.02144   0.03381
   D57        3.09729   0.00003  -0.01220   0.00453  -0.00765   3.08964
   D58       -0.26514   0.00066   0.02984   0.01095   0.04037  -0.22477
   D59       -0.33517   0.00057   0.05482  -0.01031   0.04510  -0.29007
   D60       -0.04072   0.00009  -0.02030   0.01108  -0.00924  -0.04996
   D61        2.88004   0.00072   0.02174   0.01750   0.03877   2.91881
   D62        2.81000   0.00063   0.04672  -0.00377   0.04351   2.85352
   D63       -3.12498  -0.00022  -0.02257  -0.00189  -0.02435   3.13386
   D64        0.02024  -0.00020  -0.01161  -0.00417  -0.01573   0.00451
   D65        0.00870  -0.00009  -0.00821  -0.00171  -0.00993  -0.00123
   D66       -3.13375  -0.00000  -0.00644   0.00210  -0.00433  -3.13808
   D67       -3.10395  -0.00016  -0.00332  -0.00480  -0.00812  -3.11207
   D68        0.03679  -0.00006  -0.00155  -0.00098  -0.00252   0.03427
   D69        0.00794   0.00012   0.00687   0.00302   0.00989   0.01783
   D70       -3.11395   0.00010   0.00565   0.00501   0.01066  -3.10329
   D71       -3.13279   0.00003   0.00507  -0.00080   0.00428  -3.12851
   D72        0.02850   0.00001   0.00385   0.00118   0.00505   0.03355
   D73       -2.28898  -0.00025  -0.03077  -0.00003  -0.03079  -2.31977
   D74        0.85498  -0.00032  -0.03114  -0.00281  -0.03395   0.82103
   D75        0.85175  -0.00016  -0.02896   0.00382  -0.02514   0.82661
   D76       -2.28748  -0.00023  -0.02933   0.00104  -0.02829  -2.31577
   D77       -0.00591  -0.00005   0.00283  -0.00208   0.00076  -0.00514
   D78        3.13914  -0.00015  -0.00499  -0.00357  -0.00855   3.13059
   D79        3.11600  -0.00003   0.00392  -0.00398  -0.00005   3.11595
   D80       -0.02214  -0.00013  -0.00390  -0.00547  -0.00937  -0.03151
   D81        0.03612  -0.00026   0.00530  -0.01241  -0.00707   0.02905
   D82       -3.10021  -0.00033   0.00462  -0.01495  -0.01031  -3.11053
   D83       -2.90874  -0.00084  -0.02939  -0.01925  -0.04893  -2.95767
   D84        0.23811  -0.00091  -0.03008  -0.02179  -0.05217   0.18594
   D85       -2.87203  -0.00020  -0.05048   0.00274  -0.04743  -2.91946
   D86        0.27483  -0.00027  -0.05116   0.00021  -0.05067   0.22415
   D87       -0.00217   0.00020   0.00799   0.00528   0.01322   0.01105
   D88       -3.12774   0.00008   0.00358   0.00249   0.00605  -3.12169
   D89        3.13426   0.00026   0.00868   0.00774   0.01640  -3.13253
   D90        0.00869   0.00014   0.00427   0.00495   0.00923   0.01792
   D91        3.13872  -0.00005  -0.00276  -0.00137  -0.00411   3.13460
   D92       -0.04112  -0.00000   0.00969  -0.00524   0.00450  -0.03662
   D93        0.00246  -0.00012  -0.00348  -0.00392  -0.00740  -0.00494
   D94        3.10580  -0.00007   0.00898  -0.00779   0.00121   3.10702
   D95       -0.02514   0.00002  -0.00441   0.00281  -0.00163  -0.02677
   D96        3.10044   0.00013   0.00005   0.00554   0.00553   3.10597
   D97       -0.01104  -0.00008  -0.00175  -0.00302  -0.00477  -0.01582
   D98        3.11211  -0.00002  -0.00208  -0.00210  -0.00418   3.10793
   D99       -3.13683  -0.00020  -0.00610  -0.00575  -0.01183   3.13452
   D100      -0.01368  -0.00014  -0.00643  -0.00483  -0.01125  -0.02493
   D101      -0.01138   0.00002   0.00023   0.00097   0.00120  -0.01018
   D102       3.11047   0.00000   0.00121  -0.00236  -0.00115   3.10932
   D103      -3.11361  -0.00001  -0.01282   0.00509  -0.00769  -3.12130
   D104       0.00824  -0.00003  -0.01184   0.00177  -0.01004  -0.00180
   D105       0.00910   0.00004   0.00229   0.00098   0.00326   0.01236
   D106       3.13347  -0.00001  -0.00154   0.00062  -0.00092   3.13255
   D107      -3.11299   0.00006   0.00123   0.00433   0.00558  -3.10741
   D108       0.01138   0.00002  -0.00260   0.00398   0.00140   0.01278
   D109       0.00240  -0.00001  -0.00150   0.00012  -0.00139   0.00101
   D110      -3.12011  -0.00007  -0.00116  -0.00081  -0.00197  -3.12208
   D111      -3.12167   0.00003   0.00242   0.00046   0.00288  -3.11879
   D112       0.03900  -0.00002   0.00276  -0.00047   0.00230   0.04130
   D113      -2.23719  -0.00037  -0.03587  -0.00336  -0.03922  -2.27642
   D114       0.89829  -0.00037  -0.03643  -0.00330  -0.03973   0.85856
   D115       0.88701  -0.00042  -0.03974  -0.00374  -0.04348   0.84353
   D116      -2.26069  -0.00042  -0.04030  -0.00368  -0.04398  -2.30468
   D117       3.13982   0.00004   0.00102   0.00124   0.00225  -3.14112
   D118       0.02968   0.00009   0.00747   0.00279   0.01024   0.03992
   D119      -0.00192   0.00004  -0.00182   0.00215   0.00032  -0.00159
   D120      -3.11205   0.00009   0.00463   0.00371   0.00831  -3.10374
   D121       3.14071  -0.00003  -0.00201  -0.00049  -0.00251   3.13820
   D122       0.03162   0.00001   0.00341   0.00129   0.00468   0.03630
   D123      -0.00074  -0.00003   0.00084  -0.00141  -0.00058  -0.00132
   D124      -3.10983   0.00001   0.00626   0.00037   0.00662  -3.10322
   D125       3.13892  -0.00000  -0.00059  -0.00007  -0.00066   3.13826
   D126       0.03964   0.00006   0.00666   0.00149   0.00812   0.04776
   D127      -0.00468   0.00006  -0.00027   0.00230   0.00202  -0.00266
   D128      -3.10397   0.00012   0.00698   0.00385   0.01081  -3.09316
   D129       3.14078   0.00001  -0.00025   0.00092   0.00067   3.14144
   D130       0.04340   0.00005   0.00891   0.00131   0.01020   0.05360
   D131       0.00121  -0.00005  -0.00056  -0.00147  -0.00203  -0.00083
   D132      -3.09617  -0.00001   0.00859  -0.00107   0.00750  -3.08867
   D133       3.12988  -0.00001  -0.00302   0.00059  -0.00243   3.12744
   D134       0.02613   0.00004   0.00390   0.00210   0.00599   0.03212
   D135      -0.00648  -0.00001  -0.00255   0.00054  -0.00201  -0.00849
   D136      -3.11023   0.00005   0.00437   0.00205   0.00641  -3.10382
   D137      -3.13296   0.00002   0.00228  -0.00006   0.00222  -3.13074
   D138       0.04525   0.00010   0.01001   0.00231   0.01231   0.05756
   D139       0.00342   0.00002   0.00181  -0.00001   0.00180   0.00522
   D140      -3.10156   0.00010   0.00954   0.00237   0.01189  -3.08967
   D141       0.00623  -0.00004   0.00097  -0.00221  -0.00123   0.00500
   D142      -3.12526   0.00000  -0.00070   0.00035  -0.00033  -3.12559
   D143       3.10956  -0.00009  -0.00580  -0.00341  -0.00924   3.10032
   D144      -0.02193  -0.00005  -0.00746  -0.00085  -0.00834  -0.03027
   D145       3.11614  -0.00000  -0.00241   0.00023  -0.00216   3.11397
   D146      -0.01749  -0.00003  -0.00094  -0.00066  -0.00158  -0.01907
   D147       0.02156   0.00006   0.00573   0.00186   0.00761   0.02916
   D148      -3.11207   0.00003   0.00721   0.00097   0.00818  -3.10388
   D149      -0.00541   0.00001  -0.00129   0.00129  -0.00002  -0.00543
   D150       3.12210  -0.00003  -0.00048  -0.00068  -0.00118   3.12092
   D151       3.12411  -0.00004   0.00065  -0.00173  -0.00109   3.12301
   D152      -0.03157  -0.00008   0.00147  -0.00371  -0.00225  -0.03382
   D153       0.00622   0.00001   0.00389  -0.00032   0.00357   0.00979
   D154      -3.14015  -0.00002   0.00224  -0.00111   0.00114  -3.13902
   D155      -3.12210   0.00007   0.00172   0.00302   0.00475  -3.11735
   D156       0.01472   0.00004   0.00008   0.00223   0.00231   0.01703
   D157       0.00263   0.00002   0.00114   0.00010   0.00125   0.00388
   D158       3.10437  -0.00003  -0.00721  -0.00020  -0.00743   3.09694
   D159      -3.12718   0.00005   0.00044   0.00177   0.00223  -3.12496
   D160      -0.02544   0.00000  -0.00791   0.00147  -0.00645  -0.03189
   D161      -3.11810   0.00003   0.00367   0.00066   0.00434  -3.11376
   D162       0.01687   0.00002   0.00127   0.00086   0.00212   0.01900
   D163       0.00801  -0.00001   0.00459  -0.00152   0.00307   0.01108
   D164      -3.14021  -0.00002   0.00218  -0.00133   0.00086  -3.13935
   D165       3.11598  -0.00002  -0.00458  -0.00015  -0.00472   3.11126
   D166      -0.01003  -0.00007  -0.00386  -0.00121  -0.00507  -0.01509
   D167       0.02345   0.00002   0.00564   0.00023   0.00588   0.02934
   D168      -3.10255  -0.00002   0.00636  -0.00083   0.00553  -3.09702
   D169       0.00375  -0.00003   0.00207  -0.00203   0.00005   0.00379
   D170      -3.13011   0.00001   0.00053   0.00037   0.00092  -3.12920
   D171       3.11681  -0.00007  -0.00392  -0.00331  -0.00726   3.10956
   D172      -0.01704  -0.00003  -0.00546  -0.00091  -0.00639  -0.02343
   D173       3.12295  -0.00001  -0.00346   0.00003  -0.00341   3.11954
   D174      -0.00989  -0.00004  -0.00364  -0.00005  -0.00368  -0.01357
   D175       0.01634   0.00004   0.00378   0.00168   0.00548   0.02182
   D176      -3.11650   0.00002   0.00360   0.00160   0.00521  -3.11129
   D177      -0.00413   0.00001  -0.00153   0.00115  -0.00040  -0.00453
   D178       3.12743  -0.00002   0.00005  -0.00090  -0.00086   3.12657
   D179       3.12817  -0.00004   0.00028  -0.00171  -0.00144   3.12673
   D180      -0.02345  -0.00007   0.00187  -0.00376  -0.00190  -0.02535
   D181       0.00497   0.00001   0.00339  -0.00010   0.00329   0.00826
   D182      -3.14067  -0.00002   0.00169  -0.00106   0.00063  -3.14004
   D183      -3.12641   0.00007   0.00137   0.00305   0.00443  -3.12198
   D184       0.01112   0.00004  -0.00032   0.00209   0.00178   0.01290
   D185       0.00303   0.00001   0.00044   0.00015   0.00060   0.00363
   D186       3.11519  -0.00003  -0.00455  -0.00139  -0.00595   3.10923
   D187      -3.13021   0.00004  -0.00090   0.00188   0.00099  -3.12922
   D188      -0.01806   0.00000  -0.00590   0.00035  -0.00556  -0.02362
   D189      -3.12477   0.00003   0.00199   0.00132   0.00331  -3.12146
   D190       0.01243   0.00002  -0.00035   0.00136   0.00101   0.01344
   D191       0.00581  -0.00001   0.00375  -0.00095   0.00281   0.00861
   D192      -3.14018  -0.00002   0.00141  -0.00091   0.00050  -3.13968
   D193       3.12197  -0.00003  -0.00226  -0.00098  -0.00323   3.11874
   D194      -0.00985  -0.00006  -0.00151  -0.00131  -0.00281  -0.01266
   D195       0.01651   0.00002   0.00381   0.00095   0.00477   0.02128
   D196      -3.11531  -0.00001   0.00456   0.00062   0.00519  -3.11012
   D197       0.00693   0.00000   0.00227  -0.00084   0.00145   0.00838
   D198      -3.12538   0.00003   0.00092   0.00104   0.00197  -3.12342
   D199       3.11429  -0.00005  -0.00409  -0.00209  -0.00619   3.10810
   D200      -0.01802  -0.00001  -0.00544  -0.00021  -0.00567  -0.02369
   D201       3.11498  -0.00003  -0.00418  -0.00044  -0.00461   3.11036
   D202      -0.01647  -0.00006  -0.00423  -0.00052  -0.00475  -0.02122
   D203       0.01546   0.00003   0.00357   0.00117   0.00474   0.02021
   D204      -3.11598   0.00001   0.00351   0.00109   0.00461  -3.11138
   D205      -0.00477   0.00001  -0.00115   0.00082  -0.00034  -0.00511
   D206       3.12528  -0.00005  -0.00085  -0.00165  -0.00251   3.12277
   D207       3.12571  -0.00003   0.00045  -0.00139  -0.00095   3.12476
   D208      -0.02742  -0.00008   0.00075  -0.00386  -0.00312  -0.03055
   D209       0.00627   0.00000   0.00340  -0.00045   0.00295   0.00922
   D210      -3.14079  -0.00002   0.00176  -0.00100   0.00075  -3.14003
   D211      -3.12311   0.00004   0.00162   0.00199   0.00362  -3.11949
   D212       0.01302   0.00002  -0.00002   0.00145   0.00142   0.01444
   D213       0.00087  -0.00002  -0.00040  -0.00051  -0.00090  -0.00003
   D214       3.10931  -0.00009  -0.00749  -0.00256  -0.01006   3.09925
   D215      -3.13109   0.00003  -0.00067   0.00158   0.00092  -3.13017
   D216      -0.02266  -0.00004  -0.00776  -0.00047  -0.00823  -0.03089
   D217      -3.12294   0.00007   0.00381   0.00225   0.00608  -3.11686
   D218       0.01361   0.00005   0.00127   0.00196   0.00323   0.01683
   D219       0.00597   0.00001   0.00416  -0.00048   0.00369   0.00966
   D220      -3.14067  -0.00001   0.00161  -0.00077   0.00084  -3.13983
   D221       3.12401  -0.00003  -0.00263  -0.00112  -0.00374   3.12027
   D222      -0.00675  -0.00004  -0.00200  -0.00090  -0.00289  -0.00964
   D223       0.02312   0.00005   0.00600   0.00145   0.00747   0.03059
   D224      -3.10763   0.00004   0.00664   0.00167   0.00832  -3.09931
   D225       0.01027  -0.00001   0.00066  -0.00006   0.00060   0.01086
   D226      -3.14011   0.00001   0.00291  -0.00067   0.00224  -3.13787
   D227      -3.12468   0.00000   0.00307  -0.00026   0.00281  -3.12187
   D228       0.00813   0.00002   0.00532  -0.00088   0.00445   0.01258
   D229      -0.01211   0.00004  -0.00291   0.00182  -0.00109  -0.01320
   D230       3.12772  -0.00001   0.00014  -0.00132  -0.00118   3.12654
   D231       3.13824   0.00002  -0.00516   0.00244  -0.00272   3.13552
   D232      -0.00512  -0.00003  -0.00211  -0.00070  -0.00281  -0.00793
   D233      -0.00479  -0.00004  -0.00023  -0.00189  -0.00211  -0.00690
   D234       3.12136   0.00000  -0.00099  -0.00080  -0.00178   3.11958
   D235       3.13856   0.00001  -0.00326   0.00124  -0.00202   3.13654
   D236      -0.01847   0.00005  -0.00402   0.00232  -0.00169  -0.02016
   D237      -0.00619  -0.00004  -0.00063  -0.00174  -0.00235  -0.00854
   D238       3.13625  -0.00001  -0.00238   0.00035  -0.00203   3.13423
   D239       3.12752  -0.00001  -0.00210  -0.00083  -0.00292   3.12460
   D240      -0.01322   0.00002  -0.00386   0.00125  -0.00260  -0.01582
   D241      -0.00898   0.00001  -0.00273   0.00055  -0.00218  -0.01116
   D242       3.13934   0.00001  -0.00427   0.00157  -0.00270   3.13663
   D243       3.13176  -0.00003  -0.00097  -0.00154  -0.00251   3.12925
   D244      -0.00311  -0.00003  -0.00251  -0.00052  -0.00303  -0.00614
   D245       0.00881   0.00001   0.00104   0.00051   0.00154   0.01035
   D246      -3.12799   0.00004   0.00269   0.00129   0.00398  -3.12401
   D247      -3.13953   0.00001   0.00258  -0.00051   0.00207  -3.13746
   D248       0.00686   0.00004   0.00423   0.00027   0.00450   0.01136
   D249       0.00714  -0.00001   0.00022   0.00028   0.00050   0.00763
   D250      -3.14018   0.00001   0.00230  -0.00048   0.00183  -3.13836
   D251      -3.13004   0.00000   0.00256   0.00023   0.00280  -3.12725
   D252       0.00582   0.00002   0.00465  -0.00052   0.00413   0.00995
   D253      -0.00859   0.00003  -0.00231   0.00108  -0.00124  -0.00983
   D254       3.13239  -0.00001   0.00031  -0.00161  -0.00131   3.13108
   D255       3.13871   0.00001  -0.00439   0.00184  -0.00256   3.13615
   D256      -0.00349  -0.00003  -0.00178  -0.00086  -0.00263  -0.00612
   D257      -0.00325  -0.00003   0.00030  -0.00167  -0.00137  -0.00462
   D258       3.12863  -0.00000  -0.00048  -0.00132  -0.00179   3.12684
   D259       3.13895   0.00001  -0.00230   0.00100  -0.00130   3.13765
   D260      -0.01235   0.00004  -0.00308   0.00135  -0.00172  -0.01408
   D261      -0.00409  -0.00003  -0.00015  -0.00149  -0.00164  -0.00573
   D262       3.13917   0.00001  -0.00261   0.00110  -0.00150   3.13767
   D263       3.12881  -0.00001  -0.00001  -0.00139  -0.00138   3.12742
   D264      -0.01112   0.00003  -0.00246   0.00120  -0.00125  -0.01236
   D265      -0.00756   0.00002  -0.00177   0.00049  -0.00128  -0.00884
   D266       3.13980   0.00002  -0.00438   0.00200  -0.00238   3.13742
   D267       3.13235  -0.00002   0.00070  -0.00211  -0.00141   3.13094
   D268      -0.00348  -0.00002  -0.00191  -0.00060  -0.00251  -0.00599
   D269       0.00698  -0.00000   0.00010   0.00033   0.00043   0.00740
   D270      -3.13055   0.00003   0.00180   0.00129   0.00308  -3.12746
   D271      -3.14040  -0.00000   0.00271  -0.00118   0.00153  -3.13887
   D272       0.00526   0.00003   0.00441  -0.00023   0.00419   0.00945
   D273       0.00915   0.00000   0.00082   0.00044   0.00126   0.01040
   D274      -3.14031   0.00000   0.00211  -0.00063   0.00147  -3.13884
   D275      -3.12738   0.00003   0.00338   0.00073   0.00411  -3.12328
   D276       0.00634   0.00003   0.00466  -0.00034   0.00432   0.01067
   D277      -0.00844   0.00001  -0.00253   0.00060  -0.00194  -0.01038
   D278       3.12992  -0.00004  -0.00065  -0.00207  -0.00271   3.12720
   D279       3.14099   0.00001  -0.00382   0.00168  -0.00215   3.13884
   D280      -0.00384  -0.00003  -0.00194  -0.00099  -0.00292  -0.00676
   D281      -0.00764  -0.00004  -0.00085  -0.00154  -0.00239  -0.01003
   D282       3.12322  -0.00003  -0.00151  -0.00173  -0.00323   3.11999
   D283       3.13717   0.00001  -0.00273   0.00111  -0.00161   3.13556
   D284      -0.01516   0.00002  -0.00338   0.00092  -0.00246  -0.01761
   D285      -0.00166  -0.00003   0.00023  -0.00150  -0.00126  -0.00291
   D286       3.14046   0.00000  -0.00240   0.00097  -0.00143   3.13904
   D287       3.12987  -0.00001   0.00026  -0.00139  -0.00113   3.12874
   D288      -0.01120   0.00003  -0.00238   0.00108  -0.00129  -0.01249
   D289      -0.00973   0.00002  -0.00215   0.00084  -0.00131  -0.01104
   D290       3.13796   0.00001  -0.00469   0.00197  -0.00273   3.13523
   D291       3.13133  -0.00002   0.00050  -0.00165  -0.00114   3.13019
   D292      -0.00416  -0.00002  -0.00204  -0.00052  -0.00256  -0.00672
   D293       0.00721  -0.00001   0.00027   0.00017   0.00044   0.00766
   D294      -3.12890   0.00001   0.00192   0.00072   0.00264  -3.12626
   D295      -3.14050   0.00000   0.00282  -0.00095   0.00186  -3.13864
   D296       0.00658   0.00002   0.00447  -0.00041   0.00406   0.01064
         Item               Value     Threshold  Converged?
 Maximum Force            0.002668     0.000450     NO 
 RMS     Force            0.000295     0.000300     YES
 Maximum Displacement     0.490384     0.001800     NO 
 RMS     Displacement     0.094396     0.001200     NO 
 Predicted change in Energy=-3.760850D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.032209    2.960523    0.127939
      2          6           0       -2.307689    1.598834    0.037814
      3          6           0       -1.276965    0.642005    0.015647
      4          6           0        0.060152    1.100076    0.054982
      5          6           0        0.327144    2.479979    0.135175
      6          6           0       -0.698531    3.403530    0.182646
      7          6           0       -1.551399   -0.802447   -0.077115
      8          6           0       -0.481331   -1.741930   -0.121345
      9          6           0        0.889069   -1.265615   -0.040741
     10          6           0        1.166295    0.148423    0.016918
     11          6           0       -2.867683   -1.285996   -0.117521
     12          6           0       -3.145389   -2.647340   -0.231318
     13          6           0       -2.082922   -3.564903   -0.309547
     14          6           0       -0.778730   -3.116142   -0.252119
     15          7           0        1.934762   -2.107796   -0.019403
     16          6           0        3.219536   -1.652529   -0.003906
     17          6           0        3.442032   -0.242814    0.025646
     18          7           0        2.403425    0.622559    0.050850
     19          6           0        4.321755   -2.541986   -0.018890
     20          6           0        5.595510   -2.028786   -0.010545
     21          6           0        5.833465   -0.621405    0.000463
     22          6           0        4.767252    0.255610    0.017698
     23          7           0       -3.091687    3.897642    0.165089
     24          7           0       -4.480538   -3.098122   -0.273282
     25          7           0        7.162637   -0.148193    0.019856
     26          6           0       -5.011235   -4.165041    0.477008
     27          6           0       -6.383712   -4.306735    0.162012
     28          6           0       -6.701450   -3.292389   -0.822583
     29          6           0       -5.512828   -2.563380   -1.067613
     30          6           0       -3.214402    5.028274   -0.659131
     31          6           0       -4.405173    5.715531   -0.319750
     32          6           0       -5.029094    4.975185    0.758048
     33          6           0       -4.198063    3.861187    1.030814
     34          6           0        7.684129    0.819819    0.898302
     35          6           0        9.057625    1.004712    0.609132
     36          6           0        9.382644    0.123994   -0.494626
     37          6           0        8.197112   -0.571135   -0.834112
     38          6           0       -7.870706   -2.960108   -1.514022
     39          6           0       -7.838500   -1.923986   -2.442354
     40          6           0       -6.646014   -1.228432   -2.692986
     41          6           0       -5.468046   -1.538569   -2.015464
     42          6           0       -4.394696   -4.967469    1.439477
     43          6           0       -5.170746   -5.944416    2.060498
     44          6           0       -6.526985   -6.114336    1.742311
     45          6           0       -7.140256   -5.295370    0.799354
     46          6           0       -6.194657    5.164998    1.507990
     47          6           0       -6.507792    4.258077    2.515633
     48          6           0       -5.662619    3.170329    2.785474
     49          6           0       -4.497129    2.956805    2.052045
     50          6           0       -2.387326    5.462136   -1.697045
     51          6           0       -2.758434    6.619096   -2.379503
     52          6           0       -3.925357    7.323706   -2.044220
     53          6           0       -4.753765    6.875237   -1.019990
     54          6           0       10.554735   -0.117641   -1.218237
     55          6           0       10.527280   -1.031051   -2.267705
     56          6           0        9.337584   -1.693659   -2.606480
     57          6           0        8.156029   -1.470635   -1.901603
     58          6           0        7.059249    1.498840    1.946004
     59          6           0        7.829091    2.390825    2.690293
     60          6           0        9.186756    2.601213    2.404135
     61          6           0        9.807069    1.908595    1.369049
     62          1           0       -3.345093    1.300928   -0.033593
     63          1           0        1.361982    2.797476    0.176103
     64          1           0       -0.490511    4.463344    0.277230
     65          1           0       -3.704054   -0.606531   -0.031199
     66          1           0       -2.288799   -4.621240   -0.433935
     67          1           0        0.019121   -3.849222   -0.304586
     68          1           0        1.851928   -3.265167    0.154047
     69          1           0        4.136361   -3.610817   -0.008554
     70          1           0        6.447214   -2.698895    0.008499
     71          1           0        4.911182    1.329013    0.008452
     72          1           0       -8.789217   -3.510859   -1.332959
     73          1           0       -8.740088   -1.653900   -2.983215
     74          1           0       -6.635730   -0.431915   -3.430958
     75          1           0       -4.548647   -1.007465   -2.232699
     76          1           0       -3.352455   -4.837179    1.706411
     77          1           0       -4.711191   -6.584904    2.807136
     78          1           0       -7.101418   -6.888245    2.241793
     79          1           0       -8.193905   -5.415830    0.564609
     80          1           0       -6.842535    6.013813    1.308852
     81          1           0       -7.410937    4.392656    3.102616
     82          1           0       -5.918904    2.478711    3.582432
     83          1           0       -3.843458    2.121653    2.276555
     84          1           0       -1.491160    4.916581   -1.970998
     85          1           0       -2.129827    6.979286   -3.188473
     86          1           0       -4.183552    8.223762   -2.593435
     87          1           0       -5.663298    7.413835   -0.769959
     88          1           0       11.471830    0.407482   -0.967412
     89          1           0       11.430902   -1.229412   -2.835493
     90          1           0        9.332112   -2.393030   -3.437030
     91          1           0        7.238751   -1.973752   -2.185698
     92          1           0        6.014435    1.335329    2.183371
     93          1           0        7.364550    2.932529    3.508750
     94          1           0        9.756469    3.307624    2.999717
     95          1           0       10.861314    2.060970    1.156764
     96         17           0        1.988727   -4.939237    0.528404
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462642           0.0189530           0.0145570
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7848.4251074999 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999998    0.001909    0.000371   -0.000910 Ang=   0.25 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58726239     A.U. after   12 cycles
            NFock= 12  Conv=0.56D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.002164324    0.000779227    0.000063811
      2        6           0.000017219   -0.000299533    0.000266884
      3        6          -0.000135783   -0.000834744    0.000234977
      4        6           0.000154411    0.000045302   -0.000234184
      5        6           0.000405500    0.000115973   -0.000066682
      6        6           0.000597992    0.000294735   -0.000096378
      7        6          -0.000628760    0.001168058   -0.000208450
      8        6           0.000920421    0.000541542    0.000212544
      9        6          -0.002113705   -0.001412246   -0.000086664
     10        6           0.000325294    0.001093209    0.000037986
     11        6           0.000394038    0.000465247    0.000292588
     12        6          -0.001248492   -0.001258197   -0.000319937
     13        6          -0.000111886    0.000122998   -0.000052199
     14        6           0.000059442   -0.000629215    0.000276555
     15        7           0.001861496   -0.003684650    0.001462916
     16        6          -0.000117026    0.000761359   -0.000131145
     17        6          -0.000371132    0.000401731   -0.000354312
     18        7           0.000405871   -0.000322607   -0.000006156
     19        6           0.000501156   -0.001117996    0.000286563
     20        6           0.000048921    0.000453792   -0.000101033
     21        6           0.001963613    0.000754096    0.000220322
     22        6          -0.000919224    0.000115840   -0.000081225
     23        7           0.000031281   -0.000212124    0.000085337
     24        7          -0.000610084    0.000061237   -0.000273566
     25        7          -0.000320534   -0.000070797   -0.000116283
     26        6           0.000622838    0.001287040   -0.000356158
     27        6          -0.000095477   -0.000163866   -0.000394908
     28        6          -0.000329369   -0.000084759    0.000402185
     29        6           0.001640720   -0.000194570    0.000664879
     30        6           0.000780533   -0.001105744    0.000883006
     31        6          -0.000143378    0.000292816    0.000331422
     32        6          -0.000223366   -0.000057526   -0.000358040
     33        6           0.001199864   -0.000124956   -0.000777071
     34        6          -0.000542007   -0.000989148   -0.000639654
     35        6           0.000088148    0.000245255   -0.000332616
     36        6           0.000290116   -0.000062040    0.000320158
     37        6          -0.001164587   -0.000072775    0.000665342
     38        6          -0.000273219   -0.000519845   -0.000012335
     39        6          -0.000597478   -0.000101821   -0.000114146
     40        6           0.000404772    0.000630933   -0.000039642
     41        6          -0.000060407    0.000183613   -0.000272559
     42        6           0.000059746   -0.000256815    0.000350830
     43        6           0.000728658    0.000098768    0.000167691
     44        6          -0.000386861   -0.000441093    0.000062401
     45        6          -0.000584365   -0.000074262   -0.000025107
     46        6          -0.000324841    0.000522483   -0.000026808
     47        6          -0.000603689    0.000106338    0.000116580
     48        6           0.000443762   -0.000569118    0.000118807
     49        6          -0.000104102   -0.000096435    0.000277039
     50        6           0.000171486    0.000270339   -0.000508756
     51        6           0.000704039   -0.000046015   -0.000154378
     52        6          -0.000374503    0.000437650   -0.000093835
     53        6          -0.000609102    0.000014557    0.000031082
     54        6           0.000295599    0.000573713    0.000111069
     55        6           0.000564344    0.000112695   -0.000123870
     56        6          -0.000385295   -0.000543531   -0.000168231
     57        6           0.000040026   -0.000190722   -0.000341087
     58        6          -0.000148222    0.000061237    0.000291892
     59        6          -0.000675593   -0.000072667    0.000130539
     60        6           0.000336417    0.000475296    0.000175683
     61        6           0.000614908    0.000036421   -0.000061516
     62        1           0.000073434   -0.000097652   -0.000025689
     63        1          -0.000124868    0.000194078    0.000069732
     64        1           0.000406266   -0.000070377   -0.000007290
     65        1           0.000005349    0.000019426   -0.000071337
     66        1           0.000376601   -0.000054809   -0.000115927
     67        1           0.000017020   -0.000160692   -0.000095163
     68        1          -0.000591675    0.003842379   -0.001139084
     69        1          -0.000324146   -0.000215701    0.000175386
     70        1          -0.000050157   -0.000289277    0.000088481
     71        1          -0.000008001   -0.000030651   -0.000082585
     72        1          -0.000009835    0.000089310   -0.000038377
     73        1           0.000028753   -0.000118681   -0.000002353
     74        1           0.000062505   -0.000069943   -0.000005773
     75        1          -0.000097155    0.000139154   -0.000111450
     76        1           0.000008800   -0.000212707    0.000062323
     77        1          -0.000048521    0.000048689    0.000005635
     78        1          -0.000074362    0.000069847   -0.000020280
     79        1           0.000061493   -0.000052636    0.000044580
     80        1           0.000005150   -0.000077384    0.000026462
     81        1           0.000017233    0.000099830   -0.000017713
     82        1           0.000067495    0.000057537   -0.000008451
     83        1          -0.000104623   -0.000136889    0.000171311
     84        1          -0.000174602    0.000243364   -0.000191797
     85        1          -0.000049510   -0.000065898   -0.000002451
     86        1          -0.000084426   -0.000073924    0.000022549
     87        1           0.000062714    0.000066599   -0.000058437
     88        1           0.000012785   -0.000081651   -0.000045484
     89        1          -0.000017608    0.000092995    0.000028290
     90        1          -0.000059672    0.000054001    0.000003140
     91        1           0.000157296   -0.000064498   -0.000149740
     92        1           0.000044733    0.000162668    0.000185082
     93        1           0.000020775   -0.000064737   -0.000012197
     94        1           0.000083719   -0.000065735   -0.000011962
     95        1          -0.000062258    0.000033998    0.000037159
     96       17           0.000063477   -0.000123714   -0.000318746
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003842379 RMS     0.000563068

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002706629 RMS     0.000269192
 Search for a local minimum.
 Step number  13 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   11   12   13
 DE= -4.20D-04 DEPred=-3.76D-04 R= 1.12D+00
 TightC=F SS=  1.41D+00  RLast= 2.38D-01 DXNew= 5.0454D+00 7.1469D-01
 Trust test= 1.12D+00 RLast= 2.38D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00720   0.01839   0.02238   0.02707   0.02710
     Eigenvalues ---    0.02725   0.02733   0.02742   0.02745   0.02751
     Eigenvalues ---    0.02755   0.02761   0.02771   0.02778   0.02784
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02797   0.02812   0.02815   0.02816   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02826   0.02829
     Eigenvalues ---    0.02832   0.02836   0.02837   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02846   0.02847   0.02850
     Eigenvalues ---    0.02857   0.02859   0.02865   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02879   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02896   0.02897   0.02898   0.02898
     Eigenvalues ---    0.02899   0.02901   0.02903   0.02908   0.02909
     Eigenvalues ---    0.02910   0.02938   0.02941   0.02943   0.02952
     Eigenvalues ---    0.02965   0.03013   0.03022   0.03037   0.03097
     Eigenvalues ---    0.03127   0.03129   0.03135   0.03146   0.03165
     Eigenvalues ---    0.03272   0.03508   0.04189   0.05426   0.12040
     Eigenvalues ---    0.15529   0.15911   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16011   0.16023
     Eigenvalues ---    0.16063   0.16106   0.16147   0.20151   0.21813
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22354   0.22434   0.22482   0.22597   0.22600
     Eigenvalues ---    0.22601   0.22605   0.22634   0.22637   0.23104
     Eigenvalues ---    0.23497   0.23509   0.23780   0.24098   0.24478
     Eigenvalues ---    0.24480   0.24500   0.24513   0.24533   0.24630
     Eigenvalues ---    0.24642   0.24657   0.24884   0.24967   0.24970
     Eigenvalues ---    0.24976   0.24978   0.24983   0.24989   0.24995
     Eigenvalues ---    0.24998   0.24999   0.25003   0.25011   0.25056
     Eigenvalues ---    0.25082   0.25518   0.27680   0.30148   0.31231
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33284   0.33309   0.33338   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33679
     Eigenvalues ---    0.33844   0.33861   0.33875   0.33891   0.33896
     Eigenvalues ---    0.33908   0.33932   0.33938   0.33970   0.34335
     Eigenvalues ---    0.34545   0.34786   0.35960   0.44439   0.44466
     Eigenvalues ---    0.44525   0.45179   0.47100   0.48257   0.48788
     Eigenvalues ---    0.48949   0.48959   0.49612   0.49718   0.50187
     Eigenvalues ---    0.50321   0.50366   0.50392   0.50593   0.50609
     Eigenvalues ---    0.50676   0.51143   0.52785   0.52863   0.53249
     Eigenvalues ---    0.54074   0.54100   0.54192   0.54197   0.54209
     Eigenvalues ---    0.54465   0.54798   0.54900   0.55044   0.55369
     Eigenvalues ---    0.55510   0.55624   0.55752   0.55903   0.55926
     Eigenvalues ---    0.55961   0.56126   0.56137   0.56147   0.56259
     Eigenvalues ---    0.56490   0.56568   0.56661   0.56664   0.56665
     Eigenvalues ---    0.56675   0.56681   0.56697   0.56718   0.56903
     Eigenvalues ---    0.56914   0.56938   0.57113   0.57161   0.57162
     Eigenvalues ---    0.57167   0.57175   0.57179   0.60017   0.62199
     Eigenvalues ---    0.63496   0.65921   0.66068   0.67378   0.67621
     Eigenvalues ---    0.67715   0.67981   0.69775   0.69923   0.70715
     Eigenvalues ---    0.74195   0.76221
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    13   12   11   10
 RFO step:  Lambda=-2.09804698D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.13844    0.19146   -0.31977   -0.01013
 Iteration  1 RMS(Cart)=  0.02885592 RMS(Int)=  0.00012552
 Iteration  2 RMS(Cart)=  0.00034243 RMS(Int)=  0.00003723
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00003723
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63087   0.00063  -0.00052   0.00098   0.00046   2.63133
    R2        2.65770   0.00118  -0.00089   0.00194   0.00106   2.65876
    R3        2.67386  -0.00082  -0.00097  -0.00104  -0.00201   2.67184
    R4        2.65801   0.00028  -0.00076   0.00045  -0.00031   2.65770
    R5        2.04410  -0.00001   0.00011   0.00001   0.00012   2.04421
    R6        2.67198   0.00046  -0.00169   0.00066  -0.00102   2.67096
    R7        2.78397  -0.00028   0.00091  -0.00072   0.00020   2.78417
    R8        2.66032   0.00021   0.00022   0.00021   0.00043   2.66075
    R9        2.75838   0.00010  -0.00021   0.00009  -0.00010   2.75828
   R10        2.60974   0.00012  -0.00060   0.00017  -0.00043   2.60931
   R11        2.04699  -0.00001  -0.00016   0.00008  -0.00008   2.04691
   R12        2.04878  -0.00008   0.00009  -0.00019  -0.00009   2.04869
   R13        2.69220   0.00067  -0.00169   0.00115  -0.00056   2.69164
   R14        2.65105   0.00017  -0.00071   0.00019  -0.00052   2.65053
   R15        2.74588  -0.00038  -0.00004  -0.00086  -0.00092   2.74495
   R16        2.66847   0.00076  -0.00027   0.00140   0.00113   2.66960
   R17        2.72519   0.00101  -0.00169   0.00190   0.00018   2.72537
   R18        2.53759   0.00122   0.00007   0.00185   0.00195   2.53954
   R19        2.50447   0.00015  -0.00036   0.00012  -0.00030   2.50418
   R20        2.63434   0.00090  -0.00066   0.00145   0.00080   2.63514
   R21        2.04286  -0.00000   0.00000   0.00006   0.00007   2.04293
   R22        2.65698   0.00038  -0.00032   0.00041   0.00010   2.65708
   R23        2.66417  -0.00056  -0.00111  -0.00070  -0.00181   2.66236
   R24        2.60864   0.00016  -0.00030   0.00023  -0.00006   2.60859
   R25        2.04729   0.00008  -0.00008   0.00028   0.00020   2.04748
   R26        2.04992   0.00010   0.00033   0.00005   0.00038   2.05030
   R27        2.57596   0.00014  -0.00103   0.00014  -0.00083   2.57513
   R28        2.21707  -0.00271  -0.00229  -0.01082  -0.01296   2.20411
   R29        5.45082  -0.00123   0.01946  -0.00646   0.01284   5.46367
   R30        2.69753  -0.00004  -0.00134  -0.00046  -0.00178   2.69575
   R31        2.67665   0.00055  -0.00099   0.00074  -0.00024   2.67640
   R32        2.55512  -0.00030   0.00050  -0.00049  -0.00003   2.55509
   R33        2.67561  -0.00002  -0.00063  -0.00014  -0.00077   2.67485
   R34        2.59512   0.00052  -0.00082   0.00096   0.00014   2.59527
   R35        2.05005   0.00020  -0.00013   0.00064   0.00051   2.05056
   R36        2.69739   0.00054  -0.00029   0.00089   0.00060   2.69799
   R37        2.04825   0.00008  -0.00027   0.00031   0.00004   2.04828
   R38        2.60910   0.00100  -0.00050   0.00165   0.00115   2.61024
   R39        2.66646  -0.00093  -0.00113  -0.00117  -0.00230   2.66416
   R40        2.04667  -0.00003  -0.00002  -0.00003  -0.00006   2.04661
   R41        2.65419  -0.00005   0.00082  -0.00035   0.00048   2.65467
   R42        2.65564  -0.00037   0.00134  -0.00086   0.00048   2.65612
   R43        2.66102  -0.00023   0.00106  -0.00061   0.00045   2.66147
   R44        2.66078  -0.00078   0.00156  -0.00150   0.00006   2.66084
   R45        2.65953  -0.00021   0.00126  -0.00058   0.00068   2.66020
   R46        2.65793  -0.00028   0.00126  -0.00074   0.00052   2.65844
   R47        2.67448   0.00060  -0.00184   0.00114  -0.00070   2.67378
   R48        2.63910   0.00071  -0.00096   0.00114   0.00018   2.63928
   R49        2.73801  -0.00015  -0.00050  -0.00021  -0.00071   2.73730
   R50        2.64289   0.00040  -0.00043   0.00065   0.00021   2.64310
   R51        2.67536   0.00061  -0.00167   0.00102  -0.00065   2.67471
   R52        2.64268   0.00035  -0.00044   0.00056   0.00011   2.64280
   R53        2.63931   0.00061  -0.00082   0.00093   0.00011   2.63942
   R54        2.67611   0.00068  -0.00187   0.00127  -0.00060   2.67551
   R55        2.63856   0.00094  -0.00117   0.00157   0.00040   2.63896
   R56        2.73785  -0.00018  -0.00054  -0.00031  -0.00086   2.73699
   R57        2.64344   0.00040  -0.00049   0.00064   0.00015   2.64359
   R58        2.67649   0.00054  -0.00164   0.00089  -0.00076   2.67573
   R59        2.64358   0.00035  -0.00044   0.00056   0.00011   2.64369
   R60        2.63903   0.00063  -0.00071   0.00096   0.00025   2.63928
   R61        2.67534   0.00061  -0.00172   0.00106  -0.00066   2.67468
   R62        2.63834   0.00065  -0.00086   0.00103   0.00017   2.63850
   R63        2.73820  -0.00013  -0.00061  -0.00023  -0.00084   2.73736
   R64        2.64301   0.00037  -0.00049   0.00059   0.00010   2.64311
   R65        2.67511   0.00057  -0.00174   0.00099  -0.00075   2.67436
   R66        2.64278   0.00036  -0.00047   0.00057   0.00010   2.64288
   R67        2.63908   0.00068  -0.00088   0.00106   0.00018   2.63925
   R68        2.62963   0.00027  -0.00031   0.00040   0.00008   2.62971
   R69        2.05257  -0.00006   0.00004  -0.00014  -0.00010   2.05247
   R70        2.65144   0.00070  -0.00107   0.00116   0.00008   2.65152
   R71        2.05132  -0.00003   0.00010  -0.00008   0.00003   2.05135
   R72        2.63400   0.00008  -0.00009   0.00003  -0.00006   2.63394
   R73        2.05203  -0.00006  -0.00004  -0.00012  -0.00016   2.05187
   R74        2.04803   0.00004  -0.00010   0.00018   0.00007   2.04810
   R75        2.63368   0.00010  -0.00007   0.00006  -0.00002   2.63366
   R76        2.04797  -0.00004   0.00006  -0.00008  -0.00002   2.04795
   R77        2.65202   0.00065  -0.00098   0.00105   0.00006   2.65209
   R78        2.05180  -0.00005  -0.00004  -0.00010  -0.00014   2.05166
   R79        2.62935   0.00021  -0.00028   0.00027  -0.00001   2.62934
   R80        2.05137  -0.00004   0.00011  -0.00010   0.00001   2.05138
   R81        2.05259  -0.00005   0.00002  -0.00011  -0.00009   2.05250
   R82        2.62931   0.00024  -0.00036   0.00034  -0.00003   2.62928
   R83        2.05267  -0.00006   0.00003  -0.00014  -0.00010   2.05257
   R84        2.65258   0.00068  -0.00109   0.00113   0.00004   2.65262
   R85        2.05131  -0.00003   0.00010  -0.00008   0.00002   2.05134
   R86        2.63336   0.00008  -0.00013   0.00004  -0.00010   2.63326
   R87        2.05204  -0.00005  -0.00005  -0.00011  -0.00016   2.05188
   R88        2.04856   0.00004  -0.00016   0.00018   0.00002   2.04858
   R89        2.63346   0.00012  -0.00014   0.00011  -0.00003   2.63343
   R90        2.04911  -0.00019   0.00027  -0.00051  -0.00024   2.04886
   R91        2.65276   0.00059  -0.00098   0.00093  -0.00005   2.65271
   R92        2.05217  -0.00005  -0.00004  -0.00012  -0.00016   2.05201
   R93        2.62966   0.00017  -0.00025   0.00019  -0.00007   2.62959
   R94        2.05138  -0.00003   0.00010  -0.00008   0.00001   2.05139
   R95        2.05264  -0.00005   0.00003  -0.00012  -0.00009   2.05255
   R96        2.62968   0.00028  -0.00039   0.00040   0.00001   2.62969
   R97        2.05253  -0.00006   0.00003  -0.00013  -0.00010   2.05244
   R98        2.65181   0.00066  -0.00107   0.00108   0.00001   2.65183
   R99        2.05126  -0.00003   0.00009  -0.00006   0.00002   2.05128
   R100       2.63389   0.00010  -0.00012   0.00007  -0.00005   2.63384
   R101       2.05187  -0.00004  -0.00007  -0.00009  -0.00016   2.05171
   R102       2.04862  -0.00003   0.00002  -0.00004  -0.00002   2.04860
   R103       2.63362   0.00014  -0.00017   0.00015  -0.00002   2.63359
   R104       2.04817  -0.00007   0.00006  -0.00015  -0.00009   2.04807
   R105       2.65195   0.00065  -0.00107   0.00107   0.00000   2.65196
   R106       2.05200  -0.00004  -0.00006  -0.00009  -0.00015   2.05185
   R107       2.62931   0.00028  -0.00037   0.00039   0.00001   2.62932
   R108       2.05129  -0.00003   0.00009  -0.00006   0.00003   2.05132
   R109       2.05252  -0.00005   0.00002  -0.00011  -0.00010   2.05242
   R110       3.25196   0.00131   0.02297   0.00320   0.02632   3.27828
    A1        2.09238  -0.00052   0.00012  -0.00154  -0.00142   2.09096
    A2        2.09592  -0.00001   0.00064  -0.00029   0.00034   2.09627
    A3        2.09488   0.00053  -0.00076   0.00183   0.00107   2.09595
    A4        2.11926   0.00021  -0.00020   0.00080   0.00060   2.11986
    A5        2.05265   0.00002  -0.00052   0.00029  -0.00022   2.05243
    A6        2.11111  -0.00023   0.00072  -0.00112  -0.00040   2.11072
    A7        2.06253   0.00003   0.00041  -0.00005   0.00037   2.06290
    A8        2.13113  -0.00009   0.00002  -0.00027  -0.00021   2.13091
    A9        2.08927   0.00007  -0.00043   0.00027  -0.00020   2.08907
   A10        2.09264   0.00004  -0.00012   0.00010  -0.00002   2.09262
   A11        2.09981  -0.00003   0.00010  -0.00003   0.00001   2.09983
   A12        2.09072  -0.00001   0.00005  -0.00007  -0.00001   2.09072
   A13        2.11368   0.00003  -0.00014  -0.00017  -0.00032   2.11336
   A14        2.06081   0.00023  -0.00073   0.00144   0.00072   2.06152
   A15        2.10855  -0.00025   0.00087  -0.00129  -0.00042   2.10813
   A16        2.08553   0.00022  -0.00005   0.00091   0.00086   2.08639
   A17        2.08663   0.00030  -0.00149   0.00189   0.00040   2.08703
   A18        2.11090  -0.00052   0.00152  -0.00281  -0.00129   2.10960
   A19        2.10437   0.00014  -0.00012   0.00038   0.00019   2.10456
   A20        2.11128   0.00010  -0.00099   0.00053  -0.00041   2.11087
   A21        2.06752  -0.00024   0.00115  -0.00091   0.00023   2.06775
   A22        2.08345  -0.00013   0.00051  -0.00074  -0.00032   2.08313
   A23        2.07881  -0.00008   0.00004  -0.00024  -0.00019   2.07862
   A24        2.12090   0.00021  -0.00055   0.00098   0.00051   2.12141
   A25        2.10011   0.00013  -0.00080   0.00089  -0.00005   2.10006
   A26        2.12907   0.00062   0.00105   0.00182   0.00290   2.13197
   A27        2.05401  -0.00075  -0.00023  -0.00272  -0.00285   2.05116
   A28        2.08821  -0.00018   0.00060  -0.00077  -0.00024   2.08798
   A29        2.06402   0.00010  -0.00083   0.00009  -0.00069   2.06333
   A30        2.13088   0.00007   0.00022   0.00071   0.00091   2.13180
   A31        2.12453   0.00043  -0.00092   0.00163   0.00069   2.12522
   A32        2.10247  -0.00022   0.00043  -0.00070  -0.00026   2.10221
   A33        2.05577  -0.00020   0.00045  -0.00082  -0.00036   2.05541
   A34        2.08438  -0.00039  -0.00002  -0.00127  -0.00130   2.08308
   A35        2.09825  -0.00005   0.00091  -0.00040   0.00051   2.09876
   A36        2.10054   0.00044  -0.00088   0.00167   0.00078   2.10133
   A37        2.09377   0.00015   0.00068   0.00037   0.00104   2.09481
   A38        2.09336   0.00030  -0.00184   0.00195   0.00011   2.09347
   A39        2.09588  -0.00046   0.00118  -0.00234  -0.00116   2.09472
   A40        2.11671   0.00012  -0.00098   0.00047  -0.00055   2.11616
   A41        2.10278   0.00008  -0.00038   0.00096   0.00057   2.10335
   A42        2.06369  -0.00021   0.00138  -0.00141  -0.00003   2.06366
   A43        2.12312   0.00021   0.00004   0.00188   0.00165   2.12477
   A44        2.17252   0.00009  -0.00391  -0.00011  -0.00431   2.16821
   A45        2.25651  -0.00019  -0.00072  -0.00141  -0.00236   2.25416
   A46        1.97614  -0.00028   0.00698  -0.00178   0.00493   1.98107
   A47        1.88394   0.00004   0.00350   0.00015   0.00350   1.88745
   A48        2.06800   0.00014   0.00046  -0.00012   0.00043   2.06844
   A49        2.12185  -0.00053   0.00012  -0.00161  -0.00156   2.12029
   A50        2.09333   0.00039  -0.00057   0.00173   0.00113   2.09446
   A51        2.10914  -0.00001  -0.00056  -0.00038  -0.00094   2.10820
   A52        2.08681  -0.00008   0.00043  -0.00063  -0.00020   2.08661
   A53        2.08720   0.00009   0.00015   0.00102   0.00115   2.08835
   A54        2.08012   0.00034   0.00003   0.00087   0.00080   2.08092
   A55        2.07949  -0.00032   0.00071  -0.00162  -0.00090   2.07859
   A56        2.07785  -0.00018   0.00088  -0.00148  -0.00063   2.07723
   A57        2.12544   0.00050  -0.00144   0.00301   0.00155   2.12699
   A58        2.12132   0.00015  -0.00024   0.00078   0.00055   2.12187
   A59        2.09198  -0.00036   0.00076  -0.00190  -0.00115   2.09083
   A60        2.06968   0.00021  -0.00053   0.00110   0.00057   2.07025
   A61        2.09169  -0.00031  -0.00043  -0.00068  -0.00111   2.09059
   A62        2.08037   0.00021   0.00000   0.00054   0.00054   2.08091
   A63        2.11092   0.00010   0.00040   0.00015   0.00055   2.11147
   A64        2.09354   0.00017   0.00007   0.00037   0.00044   2.09398
   A65        2.06386  -0.00010  -0.00028  -0.00008  -0.00036   2.06349
   A66        2.12565  -0.00007   0.00021  -0.00027  -0.00006   2.12559
   A67        2.19341   0.00023  -0.00020   0.00097   0.00076   2.19417
   A68        2.19999  -0.00038   0.00120  -0.00143  -0.00024   2.19975
   A69        1.88978   0.00015  -0.00099   0.00047  -0.00052   1.88926
   A70        2.19360   0.00004  -0.00047   0.00048   0.00001   2.19361
   A71        2.20145  -0.00031   0.00156  -0.00120   0.00036   2.20181
   A72        1.88813   0.00027  -0.00110   0.00072  -0.00037   1.88776
   A73        2.19975   0.00004   0.00040   0.00030   0.00070   2.20045
   A74        2.19399  -0.00018   0.00056  -0.00066  -0.00011   2.19388
   A75        1.88943   0.00014  -0.00096   0.00036  -0.00059   1.88884
   A76        1.89943  -0.00009   0.00032  -0.00036  -0.00005   1.89938
   A77        2.26032   0.00048  -0.00138   0.00161   0.00022   2.26054
   A78        2.12232  -0.00039   0.00095  -0.00122  -0.00028   2.12204
   A79        1.86902  -0.00012   0.00031  -0.00011   0.00020   1.86922
   A80        2.08740   0.00027  -0.00054   0.00088   0.00034   2.08774
   A81        2.32669  -0.00015   0.00023  -0.00079  -0.00056   2.32614
   A82        1.86920  -0.00012   0.00045  -0.00028   0.00017   1.86937
   A83        2.32635  -0.00009  -0.00006  -0.00036  -0.00043   2.32592
   A84        2.08754   0.00020  -0.00039   0.00062   0.00023   2.08778
   A85        1.89899   0.00006   0.00002   0.00004   0.00006   1.89904
   A86        2.26272   0.00021  -0.00065   0.00069   0.00003   2.26275
   A87        2.12024  -0.00026   0.00049  -0.00065  -0.00018   2.12006
   A88        1.90022  -0.00008   0.00026  -0.00025   0.00001   1.90022
   A89        2.25828   0.00066  -0.00132   0.00218   0.00085   2.25913
   A90        2.12402  -0.00058   0.00099  -0.00195  -0.00097   2.12304
   A91        1.86753  -0.00008   0.00036  -0.00015   0.00021   1.86775
   A92        2.08508   0.00035  -0.00062   0.00130   0.00068   2.08577
   A93        2.33052  -0.00027   0.00026  -0.00117  -0.00092   2.32961
   A94        1.86765  -0.00003   0.00034  -0.00008   0.00026   1.86791
   A95        2.32991  -0.00024   0.00002  -0.00087  -0.00085   2.32906
   A96        2.08558   0.00027  -0.00036   0.00093   0.00057   2.08615
   A97        1.89958   0.00004   0.00004   0.00001   0.00004   1.89963
   A98        2.25996   0.00031  -0.00054   0.00104   0.00049   2.26045
   A99        2.12297  -0.00035   0.00043  -0.00106  -0.00064   2.12233
   A100       1.89846  -0.00003   0.00006  -0.00011  -0.00006   1.89839
   A101       2.26149   0.00038  -0.00061   0.00126   0.00063   2.26213
   A102       2.12232  -0.00036   0.00046  -0.00113  -0.00068   2.12164
   A103       1.86902  -0.00005   0.00041  -0.00006   0.00036   1.86938
   A104       2.08666   0.00027  -0.00032   0.00091   0.00059   2.08724
   A105       2.32745  -0.00021  -0.00009  -0.00086  -0.00096   2.32649
   A106       1.86847  -0.00010   0.00043  -0.00028   0.00015   1.86862
   A107       2.32836  -0.00017  -0.00011  -0.00067  -0.00078   2.32758
   A108       2.08629   0.00027  -0.00033   0.00093   0.00060   2.08688
   A109       1.89936   0.00004   0.00005   0.00010   0.00015   1.89951
   A110       2.26028   0.00029  -0.00058   0.00089   0.00030   2.26058
   A111       2.12260  -0.00033   0.00042  -0.00099  -0.00059   2.12201
   A112       2.07992  -0.00007   0.00005  -0.00025  -0.00020   2.07972
   A113       2.09919   0.00011   0.00018   0.00057   0.00075   2.09994
   A114       2.10404  -0.00004  -0.00024  -0.00031  -0.00055   2.10349
   A115       2.10361  -0.00003   0.00031  -0.00011   0.00019   2.10380
   A116       2.09259  -0.00007  -0.00006  -0.00047  -0.00053   2.09206
   A117       2.08697   0.00010  -0.00025   0.00058   0.00034   2.08731
   A118       2.11898   0.00007  -0.00065   0.00024  -0.00041   2.11858
   A119       2.08642  -0.00001  -0.00015   0.00005  -0.00010   2.08632
   A120       2.07778  -0.00007   0.00080  -0.00030   0.00050   2.07829
   A121       2.05561   0.00009   0.00013   0.00021   0.00034   2.05595
   A122       2.12094   0.00016  -0.00068   0.00091   0.00023   2.12118
   A123       2.10653  -0.00024   0.00055  -0.00111  -0.00056   2.10597
   A124       2.05334   0.00015  -0.00025   0.00057   0.00032   2.05367
   A125       2.12379   0.00013  -0.00039   0.00082   0.00042   2.12422
   A126       2.10602  -0.00028   0.00064  -0.00138  -0.00074   2.10528
   A127       2.11996   0.00007  -0.00052   0.00019  -0.00033   2.11963
   A128       2.07630  -0.00003   0.00051  -0.00006   0.00045   2.07675
   A129       2.08693  -0.00004   0.00001  -0.00013  -0.00012   2.08681
   A130       2.10405  -0.00003   0.00033  -0.00017   0.00015   2.10421
   A131       2.08678   0.00010  -0.00025   0.00057   0.00033   2.08711
   A132       2.09234  -0.00006  -0.00008  -0.00040  -0.00048   2.09186
   A133       2.07886  -0.00006  -0.00002  -0.00020  -0.00023   2.07863
   A134       2.09977   0.00011   0.00021   0.00056   0.00076   2.10054
   A135       2.10453  -0.00005  -0.00019  -0.00035  -0.00054   2.10399
   A136       2.07980  -0.00006   0.00006  -0.00027  -0.00021   2.07959
   A137       2.09983   0.00008   0.00026   0.00043   0.00069   2.10052
   A138       2.10353  -0.00002  -0.00032  -0.00016  -0.00049   2.10304
   A139       2.10461  -0.00007   0.00032  -0.00028   0.00003   2.10465
   A140       2.09214  -0.00005  -0.00009  -0.00034  -0.00042   2.09172
   A141       2.08642   0.00012  -0.00023   0.00062   0.00039   2.08681
   A142       2.11899   0.00008  -0.00063   0.00030  -0.00033   2.11866
   A143       2.08580   0.00001  -0.00019   0.00012  -0.00007   2.08573
   A144       2.07839  -0.00009   0.00082  -0.00042   0.00039   2.07878
   A145       2.05416   0.00013   0.00014   0.00040   0.00055   2.05471
   A146       2.11908   0.00018  -0.00064   0.00110   0.00046   2.11954
   A147       2.10990  -0.00031   0.00049  -0.00149  -0.00100   2.10890
   A148       2.05360   0.00020  -0.00011   0.00085   0.00075   2.05435
   A149       2.11884   0.00021  -0.00082   0.00125   0.00043   2.11927
   A150       2.11071  -0.00041   0.00093  -0.00210  -0.00118   2.10953
   A151       2.11896   0.00011  -0.00066   0.00032  -0.00034   2.11861
   A152       2.07833  -0.00005   0.00066  -0.00015   0.00052   2.07885
   A153       2.08589  -0.00005   0.00000  -0.00018  -0.00017   2.08572
   A154       2.10470  -0.00005   0.00036  -0.00037  -0.00001   2.10469
   A155       2.08639   0.00012  -0.00028   0.00073   0.00045   2.08684
   A156       2.09209  -0.00007  -0.00008  -0.00036  -0.00044   2.09165
   A157       2.07977  -0.00003   0.00001  -0.00015  -0.00014   2.07962
   A158       2.09962   0.00011   0.00012   0.00064   0.00076   2.10039
   A159       2.10378  -0.00008  -0.00013  -0.00049  -0.00063   2.10315
   A160       2.07956  -0.00009   0.00007  -0.00035  -0.00029   2.07927
   A161       2.09975   0.00011   0.00014   0.00060   0.00074   2.10049
   A162       2.10385  -0.00003  -0.00021  -0.00025  -0.00046   2.10339
   A163       2.10451  -0.00004   0.00025  -0.00019   0.00006   2.10457
   A164       2.09210  -0.00006  -0.00006  -0.00039  -0.00045   2.09164
   A165       2.08655   0.00010  -0.00018   0.00057   0.00039   2.08695
   A166       2.11888   0.00009  -0.00063   0.00034  -0.00029   2.11859
   A167       2.08642  -0.00001  -0.00006   0.00002  -0.00004   2.08638
   A168       2.07788  -0.00008   0.00069  -0.00036   0.00033   2.07821
   A169       2.05408   0.00010   0.00017   0.00030   0.00046   2.05455
   A170       2.12248   0.00018  -0.00059   0.00105   0.00046   2.12295
   A171       2.10656  -0.00028   0.00042  -0.00134  -0.00093   2.10563
   A172       2.05422   0.00013   0.00013   0.00044   0.00057   2.05479
   A173       2.12050   0.00018  -0.00058   0.00109   0.00051   2.12101
   A174       2.10842  -0.00031   0.00046  -0.00153  -0.00107   2.10735
   A175       2.11936   0.00009  -0.00060   0.00030  -0.00030   2.11906
   A176       2.07775  -0.00007   0.00067  -0.00031   0.00037   2.07811
   A177       2.08608  -0.00001  -0.00007   0.00001  -0.00006   2.08602
   A178       2.10410  -0.00006   0.00028  -0.00028  -0.00000   2.10410
   A179       2.08683   0.00011  -0.00021   0.00061   0.00040   2.08723
   A180       2.09224  -0.00005  -0.00006  -0.00034  -0.00040   2.09185
   A181       2.07947  -0.00006   0.00003  -0.00022  -0.00020   2.07927
   A182       2.09969   0.00009   0.00018   0.00046   0.00064   2.10033
   A183       2.10400  -0.00003  -0.00021  -0.00024  -0.00044   2.10356
    D1        0.01345  -0.00001  -0.00009  -0.00050  -0.00059   0.01286
    D2       -3.10853   0.00005  -0.00048   0.00079   0.00031  -3.10823
    D3       -3.12764   0.00001   0.00011   0.00037   0.00048  -3.12716
    D4        0.03356   0.00007  -0.00028   0.00166   0.00138   0.03494
    D5        0.00920  -0.00004  -0.00036  -0.00112  -0.00148   0.00772
    D6       -3.11559   0.00001   0.00108  -0.00010   0.00098  -3.11461
    D7       -3.13289  -0.00006  -0.00056  -0.00200  -0.00255  -3.13544
    D8        0.02550  -0.00001   0.00088  -0.00097  -0.00009   0.02541
    D9       -2.24666  -0.00006  -0.01849   0.00229  -0.01620  -2.26286
   D10        0.89735  -0.00007  -0.01737   0.00164  -0.01573   0.88162
   D11        0.89543  -0.00004  -0.01829   0.00317  -0.01512   0.88030
   D12       -2.24374  -0.00005  -0.01717   0.00251  -0.01466  -2.25840
   D13       -0.02628   0.00006   0.00107   0.00192   0.00299  -0.02328
   D14        3.13980   0.00013   0.00127   0.00396   0.00522  -3.13817
   D15        3.09506   0.00000   0.00146   0.00061   0.00206   3.09712
   D16       -0.02205   0.00007   0.00165   0.00264   0.00429  -0.01777
   D17        0.01696  -0.00006  -0.00162  -0.00175  -0.00337   0.01358
   D18       -3.12789  -0.00008  -0.00556  -0.00182  -0.00739  -3.13527
   D19        3.13467  -0.00013  -0.00181  -0.00374  -0.00554   3.12913
   D20       -0.01017  -0.00015  -0.00574  -0.00382  -0.00955  -0.01972
   D21        3.12179   0.00007   0.00282   0.00144   0.00427   3.12606
   D22       -0.02515   0.00007   0.00585   0.00121   0.00705  -0.01810
   D23        0.00504   0.00014   0.00301   0.00351   0.00652   0.01156
   D24        3.14129   0.00014   0.00604   0.00328   0.00930  -3.13259
   D25        0.00512   0.00000   0.00123   0.00016   0.00139   0.00651
   D26        3.12847  -0.00002   0.00061  -0.00049   0.00012   3.12859
   D27       -3.13324   0.00003   0.00515   0.00023   0.00538  -3.12786
   D28       -0.00989   0.00000   0.00453  -0.00042   0.00411  -0.00578
   D29       -0.01632   0.00007  -0.00065   0.00268   0.00203  -0.01430
   D30        3.13720   0.00001   0.00351  -0.00016   0.00339   3.14060
   D31        3.12202   0.00005  -0.00458   0.00261  -0.00198   3.12004
   D32       -0.00763  -0.00001  -0.00042  -0.00023  -0.00062  -0.00825
   D33       -0.01838   0.00004  -0.00022   0.00129   0.00108  -0.01730
   D34        3.10618  -0.00000  -0.00170   0.00030  -0.00140   3.10478
   D35       -3.14123   0.00006   0.00043   0.00193   0.00236  -3.13886
   D36       -0.01667   0.00002  -0.00105   0.00094  -0.00011  -0.01678
   D37        0.02641  -0.00003   0.00611  -0.00196   0.00415   0.03056
   D38       -3.10757  -0.00003   0.00649  -0.00196   0.00454  -3.10302
   D39       -3.10997  -0.00004   0.00318  -0.00174   0.00144  -3.10853
   D40        0.03924  -0.00003   0.00357  -0.00173   0.00183   0.04107
   D41        3.11952  -0.00006  -0.00280  -0.00107  -0.00386   3.11566
   D42       -0.05364   0.00004  -0.00433   0.00275  -0.00157  -0.05522
   D43       -0.02731  -0.00005   0.00015  -0.00129  -0.00113  -0.02844
   D44        3.08272   0.00004  -0.00138   0.00252   0.00115   3.08387
   D45       -0.05311  -0.00005  -0.01255   0.00077  -0.01175  -0.06486
   D46        3.09053   0.00006  -0.01500   0.00513  -0.00988   3.08065
   D47        3.08068  -0.00006  -0.01294   0.00076  -0.01216   3.06852
   D48       -0.05887   0.00005  -0.01539   0.00513  -0.01029  -0.06916
   D49       -0.02371   0.00009  -0.00400   0.00356  -0.00043  -0.02414
   D50        3.12387  -0.00004   0.00039   0.00007   0.00045   3.12433
   D51        3.12566   0.00010  -0.00361   0.00357  -0.00002   3.12564
   D52       -0.00994  -0.00003   0.00078   0.00008   0.00086  -0.00908
   D53        0.04818   0.00004   0.00988  -0.00108   0.00877   0.05694
   D54       -3.10582   0.00010   0.00555   0.00186   0.00733  -3.09849
   D55       -3.09537  -0.00006   0.01224  -0.00525   0.00699  -3.08838
   D56        0.03381   0.00000   0.00791  -0.00231   0.00556   0.03937
   D57        3.08964   0.00005  -0.00191   0.00244   0.00056   3.09020
   D58       -0.22477   0.00015   0.01707   0.00219   0.01904  -0.20572
   D59       -0.29007   0.00039   0.01224   0.00623   0.01846  -0.27161
   D60       -0.04996   0.00015  -0.00430   0.00668   0.00238  -0.04758
   D61        2.91881   0.00025   0.01468   0.00644   0.02086   2.93968
   D62        2.85352   0.00049   0.00985   0.01048   0.02028   2.87379
   D63        3.13386  -0.00003  -0.00966   0.00123  -0.00844   3.12543
   D64        0.00451  -0.00010  -0.00538  -0.00167  -0.00702  -0.00251
   D65       -0.00123   0.00007  -0.00353   0.00253  -0.00101  -0.00224
   D66       -3.13808   0.00007  -0.00248   0.00223  -0.00025  -3.13833
   D67       -3.11207  -0.00002  -0.00205  -0.00119  -0.00323  -3.11530
   D68        0.03427  -0.00003  -0.00099  -0.00149  -0.00248   0.03179
   D69        0.01783  -0.00001   0.00312  -0.00067   0.00244   0.02028
   D70       -3.10329   0.00004   0.00250   0.00027   0.00276  -3.10053
   D71       -3.12851   0.00000   0.00207  -0.00038   0.00169  -3.12682
   D72        0.03355   0.00005   0.00144   0.00056   0.00201   0.03556
   D73       -2.31977   0.00013  -0.01177   0.00734  -0.00443  -2.32420
   D74        0.82103   0.00010  -0.01240   0.00653  -0.00587   0.81516
   D75        0.82661   0.00013  -0.01071   0.00704  -0.00367   0.82294
   D76       -2.31577   0.00010  -0.01133   0.00623  -0.00510  -2.32088
   D77       -0.00514  -0.00007   0.00064  -0.00238  -0.00174  -0.00688
   D78        3.13059   0.00005  -0.00364   0.00104  -0.00260   3.12799
   D79        3.11595  -0.00012   0.00122  -0.00327  -0.00204   3.11390
   D80       -0.03151   0.00001  -0.00305   0.00015  -0.00290  -0.03441
   D81        0.02905  -0.00019  -0.00127  -0.00697  -0.00819   0.02086
   D82       -3.11053  -0.00022  -0.00211  -0.00769  -0.00972  -3.12025
   D83       -2.95767  -0.00031  -0.01687  -0.00686  -0.02402  -2.98169
   D84        0.18594  -0.00034  -0.01771  -0.00758  -0.02555   0.16039
   D85       -2.91946  -0.00044  -0.01219  -0.00979  -0.02207  -2.94152
   D86        0.22415  -0.00046  -0.01303  -0.01051  -0.02360   0.20055
   D87        0.01105   0.00012   0.00397   0.00289   0.00679   0.01784
   D88       -3.12169   0.00007   0.00189   0.00226   0.00414  -3.11755
   D89       -3.13253   0.00014   0.00480   0.00359   0.00830  -3.12423
   D90        0.01792   0.00010   0.00272   0.00296   0.00565   0.02357
   D91        3.13460  -0.00004  -0.00137  -0.00084  -0.00221   3.13239
   D92       -0.03662  -0.00010   0.00267  -0.00415  -0.00148  -0.03810
   D93       -0.00494  -0.00006  -0.00223  -0.00157  -0.00377  -0.00871
   D94        3.10702  -0.00012   0.00181  -0.00488  -0.00304   3.10398
   D95       -0.02677   0.00002  -0.00055   0.00132   0.00078  -0.02599
   D96        3.10597   0.00007   0.00153   0.00195   0.00342   3.10939
   D97       -0.01582  -0.00007  -0.00128  -0.00241  -0.00368  -0.01950
   D98        3.10793  -0.00006  -0.00106  -0.00163  -0.00269   3.10524
   D99        3.13452  -0.00011  -0.00333  -0.00302  -0.00629   3.12823
   D100      -0.02493  -0.00010  -0.00310  -0.00225  -0.00530  -0.03022
   D101      -0.01018  -0.00000   0.00033  -0.00038  -0.00006  -0.01024
   D102       3.10932  -0.00004   0.00006  -0.00138  -0.00134   3.10798
   D103      -3.12130   0.00007  -0.00389   0.00311  -0.00077  -3.12207
   D104      -0.00180   0.00004  -0.00416   0.00210  -0.00205  -0.00385
   D105       0.01236   0.00003   0.00111   0.00092   0.00202   0.01439
   D106       3.13255   0.00005  -0.00058   0.00174   0.00116   3.13372
   D107      -3.10741   0.00007   0.00136   0.00195   0.00330  -3.10411
   D108       0.01278   0.00010  -0.00033   0.00277   0.00245   0.01522
   D109       0.00101   0.00001  -0.00061   0.00051  -0.00009   0.00093
   D110      -3.12208   0.00000  -0.00084  -0.00030  -0.00111  -3.12319
   D111      -3.11879  -0.00001   0.00111  -0.00032   0.00079  -3.11801
   D112       0.04130  -0.00002   0.00088  -0.00113  -0.00024   0.04106
   D113      -2.27642   0.00005  -0.01467   0.00521  -0.00946  -2.28587
   D114       0.85856   0.00004  -0.01473   0.00509  -0.00965   0.84891
   D115       0.84353   0.00007  -0.01637   0.00603  -0.01034   0.83319
   D116      -2.30468   0.00006  -0.01644   0.00590  -0.01054  -2.31521
   D117      -3.14112   0.00003   0.00057   0.00053   0.00110  -3.14001
   D118       0.03992   0.00007   0.00337   0.00112   0.00449   0.04441
   D119      -0.00159   0.00004  -0.00038   0.00109   0.00071  -0.00089
   D120      -3.10374   0.00008   0.00242   0.00168   0.00409  -3.09965
   D121       3.13820  -0.00001  -0.00077  -0.00015  -0.00093   3.13727
   D122       0.03630   0.00003   0.00170   0.00024   0.00193   0.03823
   D123      -0.00132  -0.00002   0.00018  -0.00071  -0.00053  -0.00185
   D124      -3.10322   0.00001   0.00266  -0.00032   0.00233  -3.10088
   D125       3.13826  -0.00003  -0.00020  -0.00090  -0.00110   3.13717
   D126       0.04776  -0.00003   0.00294  -0.00163   0.00130   0.04906
   D127      -0.00266  -0.00001   0.00034  -0.00021   0.00013  -0.00253
   D128      -3.09316  -0.00000   0.00347  -0.00094   0.00252  -3.09064
   D129       3.14144   0.00005   0.00006   0.00127   0.00134  -3.14041
   D130       0.05360   0.00002   0.00372  -0.00050   0.00322   0.05681
   D131      -0.00083   0.00002  -0.00047   0.00058   0.00011  -0.00072
   D132      -3.08867  -0.00001   0.00319  -0.00120   0.00199  -3.08668
   D133       3.12744   0.00003  -0.00098   0.00086  -0.00012   3.12732
   D134       0.03212   0.00004   0.00203   0.00046   0.00249   0.03461
   D135      -0.00849   0.00003  -0.00093   0.00097   0.00004  -0.00845
   D136      -3.10382   0.00004   0.00208   0.00058   0.00265  -3.10117
   D137      -3.13074  -0.00001   0.00084  -0.00046   0.00038  -3.13036
   D138       0.05756   0.00002   0.00433  -0.00040   0.00393   0.06148
   D139       0.00522  -0.00001   0.00079  -0.00057   0.00022   0.00544
   D140      -3.08967   0.00001   0.00428  -0.00051   0.00377  -3.08590
   D141       0.00500  -0.00001  -0.00008  -0.00023  -0.00030   0.00470
   D142      -3.12559   0.00004  -0.00013   0.00145   0.00132  -3.12427
   D143       3.10032   0.00001  -0.00297   0.00053  -0.00245   3.09786
   D144      -0.03027   0.00006  -0.00302   0.00220  -0.00083  -0.03110
   D145       3.11397  -0.00002  -0.00090  -0.00038  -0.00127   3.11270
   D146      -0.01907  -0.00004  -0.00062  -0.00145  -0.00206  -0.02113
   D147       0.02916  -0.00003   0.00260  -0.00122   0.00138   0.03055
   D148      -3.10388  -0.00005   0.00288  -0.00229   0.00059  -3.10329
   D149      -0.00543   0.00003  -0.00021   0.00057   0.00036  -0.00507
   D150       3.12092  -0.00003  -0.00040  -0.00120  -0.00160   3.11932
   D151       3.12301  -0.00003  -0.00015  -0.00141  -0.00157   3.12144
   D152      -0.03382  -0.00008  -0.00034  -0.00318  -0.00353  -0.03735
   D153       0.00979  -0.00004   0.00143  -0.00147  -0.00004   0.00975
   D154      -3.13902  -0.00003   0.00060  -0.00111  -0.00052  -3.13953
   D155      -3.11735   0.00002   0.00136   0.00072   0.00209  -3.11526
   D156       0.01703   0.00003   0.00053   0.00107   0.00161   0.01864
   D157       0.00388  -0.00003   0.00042  -0.00071  -0.00029   0.00359
   D158       3.09694   0.00001  -0.00292   0.00094  -0.00198   3.09496
   D159      -3.12496   0.00002   0.00058   0.00078   0.00136  -3.12359
   D160      -0.03189   0.00006  -0.00276   0.00243  -0.00033  -0.03222
   D161      -3.11376   0.00001   0.00167   0.00015   0.00182  -3.11194
   D162       0.01900   0.00003   0.00074   0.00074   0.00148   0.02048
   D163       0.01108  -0.00005   0.00146  -0.00181  -0.00034   0.01074
   D164      -3.13935  -0.00004   0.00054  -0.00121  -0.00068  -3.14003
   D165       3.11126   0.00002  -0.00180   0.00079  -0.00100   3.11026
   D166      -0.01509   0.00001  -0.00195   0.00002  -0.00193  -0.01703
   D167       0.02934  -0.00003   0.00228  -0.00121   0.00108   0.03041
   D168      -3.09702  -0.00004   0.00213  -0.00198   0.00015  -3.09687
   D169       0.00379  -0.00004   0.00042  -0.00103  -0.00060   0.00319
   D170      -3.12920   0.00002   0.00038   0.00087   0.00126  -3.12794
   D171       3.10956  -0.00005  -0.00216  -0.00146  -0.00362   3.10593
   D172      -0.02343   0.00001  -0.00220   0.00044  -0.00176  -0.02520
   D173       3.11954  -0.00002  -0.00137  -0.00029  -0.00165   3.11789
   D174      -0.01357  -0.00000  -0.00165  -0.00004  -0.00168  -0.01525
   D175       0.02182   0.00002   0.00176   0.00032   0.00208   0.02390
   D176      -3.11129   0.00004   0.00148   0.00057   0.00205  -3.10924
   D177      -0.00453   0.00003  -0.00030   0.00058   0.00027  -0.00426
   D178       3.12657  -0.00003  -0.00026  -0.00120  -0.00147   3.12511
   D179       3.12673  -0.00004  -0.00026  -0.00168  -0.00195   3.12478
   D180      -0.02535  -0.00009  -0.00022  -0.00346  -0.00369  -0.02904
   D181       0.00826  -0.00002   0.00126  -0.00085   0.00042   0.00868
   D182      -3.14004  -0.00002   0.00039  -0.00076  -0.00038  -3.14042
   D183      -3.12198   0.00005   0.00121   0.00165   0.00286  -3.11912
   D184       0.01290   0.00005   0.00033   0.00173   0.00207   0.01497
   D185       0.00363  -0.00000   0.00008   0.00008   0.00016   0.00378
   D186       3.10923  -0.00002  -0.00218  -0.00022  -0.00241   3.10683
   D187      -3.12922   0.00004   0.00004   0.00157   0.00162  -3.12761
   D188      -0.02362   0.00003  -0.00222   0.00128  -0.00095  -0.02456
   D189      -3.12146   0.00002   0.00119   0.00072   0.00191  -3.11954
   D190       0.01344   0.00004   0.00026   0.00122   0.00148   0.01491
   D191       0.00861  -0.00004   0.00124  -0.00125  -0.00000   0.00861
   D192      -3.13968  -0.00002   0.00031  -0.00074  -0.00044  -3.14012
   D193       3.11874  -0.00003  -0.00102  -0.00070  -0.00171   3.11703
   D194      -0.01266  -0.00002  -0.00096  -0.00097  -0.00193  -0.01459
   D195       0.02128   0.00000   0.00174  -0.00029   0.00145   0.02273
   D196      -3.11012   0.00000   0.00179  -0.00056   0.00123  -3.10889
   D197       0.00838  -0.00004   0.00071  -0.00099  -0.00028   0.00810
   D198      -3.12342   0.00001   0.00063   0.00060   0.00124  -3.12217
   D199       3.10810  -0.00003  -0.00204  -0.00056  -0.00260   3.10550
   D200      -0.02369   0.00002  -0.00211   0.00104  -0.00108  -0.02477
   D201       3.11036   0.00001  -0.00173   0.00047  -0.00125   3.10911
   D202      -0.02122   0.00001  -0.00191   0.00027  -0.00164  -0.02286
   D203       0.02021   0.00001   0.00163  -0.00001   0.00162   0.02183
   D204      -3.11138   0.00001   0.00145  -0.00020   0.00124  -3.11014
   D205      -0.00511   0.00003  -0.00022   0.00063   0.00041  -0.00470
   D206       3.12277  -0.00003  -0.00073  -0.00127  -0.00201   3.12076
   D207       3.12476  -0.00003  -0.00013  -0.00126  -0.00139   3.12336
   D208      -0.03055  -0.00008  -0.00064  -0.00316  -0.00381  -0.03436
   D209       0.00922  -0.00003   0.00121  -0.00120   0.00001   0.00923
   D210      -3.14003  -0.00002   0.00044  -0.00087  -0.00044  -3.14047
   D211      -3.11949   0.00003   0.00111   0.00088   0.00199  -3.11749
   D212       0.01444   0.00004   0.00033   0.00121   0.00155   0.01599
   D213      -0.00003  -0.00001  -0.00035  -0.00004  -0.00039  -0.00042
   D214       3.09925  -0.00001  -0.00353  -0.00004  -0.00358   3.09567
   D215      -3.13017   0.00004   0.00008   0.00156   0.00164  -3.12853
   D216      -0.03089   0.00004  -0.00311   0.00156  -0.00155  -0.03244
   D217      -3.11686   0.00003   0.00210   0.00075   0.00285  -3.11401
   D218       0.01683   0.00004   0.00098   0.00131   0.00229   0.01912
   D219       0.00966  -0.00004   0.00154  -0.00135   0.00019   0.00985
   D220      -3.13983  -0.00002   0.00042  -0.00079  -0.00037  -3.14020
   D221       3.12027  -0.00003  -0.00125  -0.00064  -0.00188   3.11839
   D222      -0.00964  -0.00002  -0.00106  -0.00084  -0.00189  -0.01153
   D223       0.03059  -0.00001   0.00264  -0.00060   0.00205   0.03264
   D224      -3.09931  -0.00000   0.00283  -0.00080   0.00203  -3.09728
   D225       0.01086   0.00001   0.00019   0.00005   0.00024   0.01111
   D226      -3.13787  -0.00003   0.00108  -0.00096   0.00012  -3.13776
   D227      -3.12187  -0.00001   0.00112  -0.00054   0.00057  -3.12129
   D228       0.01258  -0.00004   0.00201  -0.00156   0.00045   0.01303
   D229      -0.01320   0.00003  -0.00065   0.00119   0.00054  -0.01265
   D230       3.12654  -0.00003  -0.00012  -0.00079  -0.00091   3.12563
   D231       3.13552   0.00007  -0.00153   0.00221   0.00067   3.13619
   D232      -0.00793   0.00000  -0.00100   0.00022  -0.00078  -0.00871
   D233      -0.00690  -0.00003  -0.00058  -0.00061  -0.00119  -0.00809
   D234       3.11958  -0.00001  -0.00044   0.00017  -0.00026   3.11932
   D235       3.13654   0.00004  -0.00110   0.00136   0.00026   3.13680
   D236      -0.02016   0.00005  -0.00096   0.00215   0.00119  -0.01897
   D237      -0.00854  -0.00002  -0.00067  -0.00045  -0.00111  -0.00965
   D238       3.13423   0.00003  -0.00087   0.00092   0.00005   3.13428
   D239       3.12460  -0.00000  -0.00095   0.00062  -0.00032   3.12428
   D240      -0.01582   0.00005  -0.00115   0.00199   0.00084  -0.01498
   D241      -0.01116   0.00003  -0.00084   0.00112   0.00027  -0.01089
   D242       3.13663   0.00005  -0.00137   0.00158   0.00022   3.13685
   D243       3.12925  -0.00002  -0.00063  -0.00026  -0.00089   3.12836
   D244      -0.00614   0.00000  -0.00116   0.00021  -0.00095  -0.00709
   D245       0.01035   0.00000   0.00044  -0.00013   0.00032   0.01066
   D246      -3.12401  -0.00001   0.00128  -0.00048   0.00079  -3.12322
   D247      -3.13746  -0.00002   0.00097  -0.00059   0.00038  -3.13709
   D248       0.01136  -0.00003   0.00180  -0.00095   0.00085   0.01221
   D249       0.00763   0.00001   0.00012   0.00030   0.00041   0.00804
   D250      -3.13836  -0.00002   0.00088  -0.00068   0.00020  -3.13816
   D251      -3.12725   0.00000   0.00106  -0.00021   0.00084  -3.12640
   D252       0.00995  -0.00003   0.00182  -0.00119   0.00063   0.01058
   D253      -0.00983   0.00002  -0.00058   0.00071   0.00013  -0.00970
   D254       3.13108  -0.00004  -0.00015  -0.00100  -0.00115   3.12993
   D255       3.13615   0.00005  -0.00135   0.00169   0.00034   3.13649
   D256      -0.00612  -0.00000  -0.00092  -0.00002  -0.00094  -0.00706
   D257      -0.00462  -0.00003  -0.00033  -0.00071  -0.00104  -0.00566
   D258       3.12684  -0.00003  -0.00040  -0.00043  -0.00082   3.12602
   D259       3.13765   0.00003  -0.00076   0.00099   0.00023   3.13788
   D260      -0.01408   0.00003  -0.00082   0.00127   0.00045  -0.01363
   D261      -0.00573  -0.00003  -0.00043  -0.00069  -0.00112  -0.00685
   D262       3.13767   0.00003  -0.00082   0.00111   0.00028   3.13795
   D263       3.12742  -0.00005  -0.00016  -0.00093  -0.00108   3.12634
   D264      -0.01236   0.00001  -0.00055   0.00087   0.00032  -0.01204
   D265      -0.00884   0.00001  -0.00044   0.00026  -0.00018  -0.00902
   D266       3.13742   0.00006  -0.00131   0.00177   0.00046   3.13787
   D267       3.13094  -0.00006  -0.00005  -0.00155  -0.00159   3.12935
   D268      -0.00599  -0.00001  -0.00092  -0.00004  -0.00095  -0.00694
   D269       0.00740   0.00002   0.00001   0.00053   0.00054   0.00794
   D270      -3.12746   0.00002   0.00089   0.00044   0.00133  -3.12613
   D271      -3.13887  -0.00003   0.00089  -0.00099  -0.00010  -3.13896
   D272       0.00945  -0.00003   0.00177  -0.00108   0.00069   0.01014
   D273       0.01040   0.00001   0.00034   0.00025   0.00060   0.01100
   D274      -3.13884  -0.00002   0.00071  -0.00057   0.00014  -3.13870
   D275      -3.12328  -0.00000   0.00147  -0.00031   0.00116  -3.12212
   D276       0.01067  -0.00003   0.00184  -0.00114   0.00070   0.01137
   D277      -0.01038   0.00002  -0.00078   0.00073  -0.00005  -0.01043
   D278       3.12720  -0.00004  -0.00064  -0.00090  -0.00153   3.12567
   D279       3.13884   0.00005  -0.00115   0.00155   0.00040   3.13925
   D280      -0.00676  -0.00001  -0.00101  -0.00007  -0.00107  -0.00784
   D281      -0.01003  -0.00002  -0.00070  -0.00056  -0.00125  -0.01128
   D282       3.11999  -0.00003  -0.00089  -0.00034  -0.00123   3.11876
   D283       3.13556   0.00003  -0.00084   0.00106   0.00022   3.13577
   D284      -0.01761   0.00003  -0.00103   0.00127   0.00024  -0.01737
   D285      -0.00291  -0.00003  -0.00029  -0.00086  -0.00116  -0.00407
   D286       3.13904   0.00002  -0.00076   0.00080   0.00004   3.13907
   D287       3.12874  -0.00004  -0.00012  -0.00065  -0.00077   3.12797
   D288      -0.01249   0.00002  -0.00059   0.00102   0.00043  -0.01207
   D289      -0.01104   0.00002  -0.00055   0.00068   0.00013  -0.01092
   D290       3.13523   0.00006  -0.00143   0.00191   0.00048   3.13571
   D291       3.13019  -0.00004  -0.00008  -0.00099  -0.00107   3.12912
   D292      -0.00672   0.00000  -0.00096   0.00024  -0.00072  -0.00744
   D293       0.00766   0.00002   0.00008   0.00038   0.00046   0.00812
   D294      -3.12626   0.00001   0.00086   0.00005   0.00091  -3.12535
   D295      -3.13864  -0.00003   0.00096  -0.00085   0.00011  -3.13853
   D296       0.01064  -0.00003   0.00174  -0.00119   0.00055   0.01119
         Item               Value     Threshold  Converged?
 Maximum Force            0.002707     0.000450     NO 
 RMS     Force            0.000269     0.000300     YES
 Maximum Displacement     0.153655     0.001800     NO 
 RMS     Displacement     0.028871     0.001200     NO 
 Predicted change in Energy=-1.003996D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.033104    2.959447    0.116928
      2          6           0       -2.307346    1.596632    0.036827
      3          6           0       -1.276059    0.640787    0.009342
      4          6           0        0.060558    1.099533    0.036435
      5          6           0        0.327424    2.480268    0.106064
      6          6           0       -0.698497    3.403049    0.156480
      7          6           0       -1.550138   -0.804087   -0.079473
      8          6           0       -0.480197   -1.743249   -0.124103
      9          6           0        0.889521   -1.266609   -0.042619
     10          6           0        1.166832    0.147988    0.001707
     11          6           0       -2.866237   -1.287422   -0.118947
     12          6           0       -3.145167   -2.648876   -0.233594
     13          6           0       -2.082240   -3.565728   -0.314814
     14          6           0       -0.777806   -3.117859   -0.256670
     15          7           0        1.938230   -2.106328   -0.010123
     16          6           0        3.222019   -1.649651    0.006871
     17          6           0        3.443425   -0.240434    0.015533
     18          7           0        2.403441    0.623536    0.027803
     19          6           0        4.323658   -2.539710    0.015345
     20          6           0        5.597266   -2.025909    0.021454
     21          6           0        5.835573   -0.618297    0.007000
     22          6           0        4.768075    0.258273    0.003582
     23          7           0       -3.092536    3.894739    0.160319
     24          7           0       -4.479563   -3.099021   -0.274230
     25          7           0        7.163355   -0.144711    0.023797
     26          6           0       -5.008453   -4.169857    0.472190
     27          6           0       -6.381760   -4.308811    0.161279
     28          6           0       -6.702465   -3.288943   -0.816073
     29          6           0       -5.514657   -2.559476   -1.061692
     30          6           0       -3.216958    5.031384   -0.655767
     31          6           0       -4.407530    5.715240   -0.310196
     32          6           0       -5.030201    4.966749    0.762075
     33          6           0       -4.198841    3.851432    1.026232
     34          6           0        7.678752    0.847679    0.878901
     35          6           0        9.054126    1.023987    0.595057
     36          6           0        9.387475    0.112752   -0.480503
     37          6           0        8.204805   -0.591246   -0.809895
     38          6           0       -7.873983   -2.953579   -1.502297
     39          6           0       -7.844474   -1.913259   -2.426078
     40          6           0       -6.652687   -1.216763   -2.677649
     41          6           0       -5.472633   -1.530933   -2.005707
     42          6           0       -4.390043   -4.976525    1.430040
     43          6           0       -5.164755   -5.955776    2.049081
     44          6           0       -6.522151   -6.122939    1.734235
     45          6           0       -7.137615   -5.299303    0.796800
     46          6           0       -6.194804    5.152229    1.514700
     47          6           0       -6.506642    4.239037    2.517052
     48          6           0       -5.660991    3.149763    2.779238
     49          6           0       -4.496336    2.941422    2.043092
     50          6           0       -2.393905    5.472311   -1.694189
     51          6           0       -2.767292    6.633316   -2.368454
     52          6           0       -3.933829    7.334839   -2.025553
     53          6           0       -4.759266    6.879016   -1.002219
     54          6           0       10.565188   -0.147005   -1.188646
     55          6           0       10.545702   -1.087574   -2.214037
     56          6           0        9.358557   -1.758817   -2.544695
     57          6           0        8.171782   -1.517206   -1.854927
     58          6           0        7.047750    1.554440    1.904473
     59          6           0        7.812672    2.466150    2.629668
     60          6           0        9.172386    2.668109    2.347194
     61          6           0        9.799317    1.947393    1.335531
     62          1           0       -3.345026    1.296997   -0.023399
     63          1           0        1.362087    2.799244    0.137676
     64          1           0       -0.489328    4.463174    0.244221
     65          1           0       -3.702348   -0.607492   -0.033320
     66          1           0       -2.287540   -4.621896   -0.442471
     67          1           0        0.019708   -3.851602   -0.309137
     68          1           0        1.851853   -3.257821    0.154220
     69          1           0        4.136822   -3.608224    0.044250
     70          1           0        6.448258   -2.696141    0.059568
     71          1           0        4.911189    1.331436   -0.024201
     72          1           0       -8.792179   -3.504846   -1.321522
     73          1           0       -8.748011   -1.640953   -2.962588
     74          1           0       -6.644666   -0.417604   -3.412665
     75          1           0       -4.553882   -0.999053   -2.223980
     76          1           0       -3.346994   -4.848599    1.694907
     77          1           0       -4.703953   -6.599493    2.792057
     78          1           0       -7.096138   -6.898422    2.231800
     79          1           0       -8.192259   -5.417751    0.565742
     80          1           0       -6.842934    6.002371    1.322466
     81          1           0       -7.409156    4.370306    3.105772
     82          1           0       -5.915767    2.453894    3.572857
     83          1           0       -3.842342    2.105221    2.262751
     84          1           0       -1.498540    4.929340   -1.975290
     85          1           0       -2.141964    6.998584   -3.177573
     86          1           0       -4.194780    8.238043   -2.568275
     87          1           0       -5.669002    7.415030   -0.747623
     88          1           0       11.480358    0.384972   -0.945575
     89          1           0       11.453835   -1.300129   -2.769379
     90          1           0        9.359166   -2.478559   -3.357564
     91          1           0        7.256748   -2.027052   -2.134186
     92          1           0        6.001523    1.397936    2.140104
     93          1           0        7.343235    3.029319    3.430551
     94          1           0        9.738904    3.389847    2.927270
     95          1           0       10.855248    2.093207    1.127316
     96         17           0        1.986152   -4.947357    0.524271
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462886           0.0189679           0.0145415
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7848.9571977871 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000751    0.000063   -0.000199 Ang=   0.09 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58739472     A.U. after   12 cycles
            NFock= 12  Conv=0.64D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001440175    0.000498352    0.000106167
      2        6          -0.000204104   -0.000213238    0.000085262
      3        6          -0.000344766   -0.000970609    0.000173314
      4        6           0.000517005    0.000256199   -0.000144941
      5        6           0.000253917   -0.000128469   -0.000063615
      6        6           0.000332303    0.000414235   -0.000014084
      7        6          -0.000806475    0.001347768   -0.000282225
      8        6           0.001282805   -0.000099387    0.000173200
      9        6          -0.001175454   -0.001112110   -0.000211548
     10        6           0.000075622    0.001157410    0.000091690
     11        6           0.000111729    0.000189101    0.000240891
     12        6          -0.000681287   -0.000611152   -0.000296744
     13        6           0.000001556   -0.000192014   -0.000052799
     14        6          -0.000032344   -0.000264780    0.000471348
     15        7           0.000292690   -0.004034152    0.001052572
     16        6           0.000229082   -0.000146887   -0.000043301
     17        6          -0.000616798    0.000583365   -0.000245870
     18        7           0.000555166   -0.000118805    0.000015511
     19        6           0.000681244   -0.000892254    0.000145980
     20        6           0.000082065    0.000278273    0.000002121
     21        6           0.001042075    0.000460316    0.000183437
     22        6          -0.000470202    0.000226821   -0.000117162
     23        7          -0.000221115   -0.000032789    0.000068652
     24        7          -0.000903315   -0.000230684   -0.000257005
     25        7           0.000190225    0.000226650   -0.000052395
     26        6           0.000781017    0.001337811   -0.000108764
     27        6          -0.000369345   -0.000373342   -0.000217820
     28        6          -0.000576731   -0.000216180    0.000169884
     29        6           0.001733259   -0.000038091    0.000447519
     30        6           0.000857080   -0.001051874    0.000509110
     31        6          -0.000373576    0.000461345    0.000154670
     32        6          -0.000520764    0.000060947   -0.000160843
     33        6           0.001288044   -0.000187068   -0.000467288
     34        6          -0.000660472   -0.001111028   -0.000412189
     35        6           0.000354669    0.000416337   -0.000117465
     36        6           0.000528349    0.000099737    0.000162389
     37        6          -0.001265345   -0.000107762    0.000318642
     38        6          -0.000228808   -0.000349848   -0.000089969
     39        6          -0.000653100   -0.000129567   -0.000069306
     40        6           0.000366796    0.000408968   -0.000022972
     41        6          -0.000039343    0.000371957   -0.000239030
     42        6           0.000206141   -0.000323343    0.000310835
     43        6           0.000549340    0.000168277    0.000115089
     44        6          -0.000417566   -0.000483780    0.000014445
     45        6          -0.000429171   -0.000073849    0.000043859
     46        6          -0.000260134    0.000373226    0.000052471
     47        6          -0.000653401    0.000110500    0.000091212
     48        6           0.000368225   -0.000355843    0.000076947
     49        6          -0.000022869   -0.000263222    0.000281703
     50        6           0.000308738    0.000289959   -0.000435310
     51        6           0.000504328   -0.000125084   -0.000090778
     52        6          -0.000426445    0.000471308   -0.000057108
     53        6          -0.000469550    0.000019287   -0.000045367
     54        6           0.000243472    0.000410627   -0.000000397
     55        6           0.000626663    0.000138093   -0.000072276
     56        6          -0.000356838   -0.000358861   -0.000107598
     57        6           0.000001398   -0.000372029   -0.000339123
     58        6          -0.000335193    0.000097319    0.000267657
     59        6          -0.000476868   -0.000119309    0.000079343
     60        6           0.000375103    0.000511989    0.000138400
     61        6           0.000447445    0.000049108    0.000035035
     62        1           0.000173087   -0.000053119   -0.000057424
     63        1          -0.000090363    0.000150992    0.000068205
     64        1           0.000341540   -0.000058950   -0.000019698
     65        1           0.000064717   -0.000009896   -0.000014466
     66        1           0.000325325   -0.000006147   -0.000045010
     67        1           0.000083978   -0.000112840   -0.000118830
     68        1          -0.000360803    0.003997811   -0.000649885
     69        1          -0.000284382   -0.000152946    0.000122210
     70        1          -0.000042539   -0.000202851    0.000077580
     71        1          -0.000000992   -0.000040204   -0.000058768
     72        1           0.000014409    0.000041123    0.000021749
     73        1           0.000049330   -0.000079362   -0.000023312
     74        1           0.000079348   -0.000003278   -0.000003911
     75        1          -0.000094715    0.000077800   -0.000111212
     76        1           0.000000608   -0.000161496    0.000034874
     77        1           0.000015989    0.000043470    0.000007646
     78        1          -0.000040837    0.000072620    0.000015193
     79        1           0.000040195   -0.000003463   -0.000020860
     80        1           0.000027220   -0.000032265   -0.000036279
     81        1           0.000039745    0.000066053    0.000006789
     82        1           0.000088383   -0.000005906   -0.000005952
     83        1          -0.000116472   -0.000069587    0.000160837
     84        1          -0.000121928    0.000180350   -0.000173086
     85        1           0.000031798   -0.000061571   -0.000003674
     86        1          -0.000041097   -0.000068039   -0.000001067
     87        1           0.000042112    0.000013375    0.000017088
     88        1          -0.000014985   -0.000044786    0.000020436
     89        1          -0.000038197    0.000059850   -0.000003361
     90        1          -0.000071762   -0.000008777   -0.000005378
     91        1           0.000142426   -0.000042680   -0.000105242
     92        1           0.000041621    0.000115220    0.000147789
     93        1          -0.000040676   -0.000056610   -0.000004605
     94        1           0.000042136   -0.000068385    0.000009512
     95        1          -0.000036765   -0.000000246   -0.000025529
     96       17          -0.000003447    0.000176863   -0.000466417
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004034152 RMS     0.000514774

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002890692 RMS     0.000254604
 Search for a local minimum.
 Step number  14 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   11   12   13   14
 DE= -1.32D-04 DEPred=-1.00D-04 R= 1.32D+00
 TightC=F SS=  1.41D+00  RLast= 9.40D-02 DXNew= 5.0454D+00 2.8210D-01
 Trust test= 1.32D+00 RLast= 9.40D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00586   0.01509   0.02287   0.02707   0.02712
     Eigenvalues ---    0.02725   0.02733   0.02744   0.02747   0.02751
     Eigenvalues ---    0.02756   0.02769   0.02771   0.02780   0.02787
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02797   0.02815   0.02816   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02828   0.02832
     Eigenvalues ---    0.02833   0.02837   0.02840   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02848   0.02854
     Eigenvalues ---    0.02857   0.02864   0.02867   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02872   0.02872   0.02876
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02882   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02889
     Eigenvalues ---    0.02890   0.02896   0.02897   0.02898   0.02899
     Eigenvalues ---    0.02900   0.02902   0.02904   0.02908   0.02910
     Eigenvalues ---    0.02912   0.02933   0.02941   0.02944   0.02946
     Eigenvalues ---    0.02973   0.03000   0.03022   0.03027   0.03098
     Eigenvalues ---    0.03127   0.03127   0.03135   0.03141   0.03170
     Eigenvalues ---    0.03287   0.03546   0.04165   0.05429   0.11673
     Eigenvalues ---    0.15230   0.15921   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16020   0.16046
     Eigenvalues ---    0.16067   0.16106   0.16154   0.20041   0.21846
     Eigenvalues ---    0.21999   0.21999   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22342   0.22439   0.22477   0.22545   0.22599
     Eigenvalues ---    0.22601   0.22603   0.22605   0.22641   0.22865
     Eigenvalues ---    0.23505   0.23509   0.23678   0.24109   0.24439
     Eigenvalues ---    0.24475   0.24477   0.24509   0.24526   0.24584
     Eigenvalues ---    0.24645   0.24687   0.24855   0.24964   0.24967
     Eigenvalues ---    0.24971   0.24974   0.24980   0.24987   0.24994
     Eigenvalues ---    0.24997   0.24999   0.25003   0.25011   0.25045
     Eigenvalues ---    0.25239   0.25619   0.26835   0.30295   0.31295
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33286   0.33300   0.33342   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33680
     Eigenvalues ---    0.33844   0.33861   0.33875   0.33890   0.33894
     Eigenvalues ---    0.33906   0.33932   0.33938   0.33965   0.34333
     Eigenvalues ---    0.34476   0.34787   0.35973   0.44448   0.44465
     Eigenvalues ---    0.44754   0.45310   0.47420   0.48271   0.48947
     Eigenvalues ---    0.48957   0.49106   0.49618   0.49793   0.50195
     Eigenvalues ---    0.50295   0.50363   0.50391   0.50590   0.50607
     Eigenvalues ---    0.50679   0.51253   0.52745   0.52916   0.53367
     Eigenvalues ---    0.54075   0.54102   0.54192   0.54198   0.54209
     Eigenvalues ---    0.54737   0.54897   0.55040   0.55101   0.55503
     Eigenvalues ---    0.55562   0.55644   0.55793   0.55903   0.55935
     Eigenvalues ---    0.55995   0.56126   0.56144   0.56147   0.56272
     Eigenvalues ---    0.56512   0.56652   0.56664   0.56665   0.56673
     Eigenvalues ---    0.56680   0.56697   0.56715   0.56808   0.56908
     Eigenvalues ---    0.56914   0.57037   0.57106   0.57161   0.57162
     Eigenvalues ---    0.57167   0.57175   0.57180   0.60406   0.62242
     Eigenvalues ---    0.64392   0.64690   0.66074   0.66108   0.67576
     Eigenvalues ---    0.67709   0.68069   0.69455   0.69867   0.69947
     Eigenvalues ---    0.73946   0.76295
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    14   13   12   11   10
 RFO step:  Lambda=-2.80494141D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.61164   -2.00000    0.45708   -0.03236   -0.03637
 Iteration  1 RMS(Cart)=  0.03274490 RMS(Int)=  0.00018543
 Iteration  2 RMS(Cart)=  0.00045210 RMS(Int)=  0.00003954
 Iteration  3 RMS(Cart)=  0.00000011 RMS(Int)=  0.00003954
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63133   0.00061   0.00086   0.00033   0.00119   2.63252
    R2        2.65876   0.00092   0.00171   0.00058   0.00230   2.66106
    R3        2.67184  -0.00039  -0.00211  -0.00115  -0.00326   2.66858
    R4        2.65770   0.00039  -0.00006   0.00043   0.00037   2.65807
    R5        2.04421  -0.00012   0.00030  -0.00062  -0.00031   2.04390
    R6        2.67096   0.00086  -0.00074   0.00060  -0.00015   2.67080
    R7        2.78417  -0.00016  -0.00056   0.00121   0.00064   2.78481
    R8        2.66075   0.00007   0.00039   0.00031   0.00071   2.66146
    R9        2.75828   0.00017  -0.00023   0.00072   0.00048   2.75876
   R10        2.60931   0.00021  -0.00022  -0.00026  -0.00047   2.60884
   R11        2.04691   0.00000   0.00007  -0.00030  -0.00023   2.04668
   R12        2.04869  -0.00007   0.00005  -0.00023  -0.00017   2.04852
   R13        2.69164   0.00089   0.00052   0.00051   0.00103   2.69267
   R14        2.65053   0.00031  -0.00028  -0.00017  -0.00045   2.65008
   R15        2.74495  -0.00056  -0.00053  -0.00320  -0.00372   2.74124
   R16        2.66960   0.00037   0.00152   0.00033   0.00185   2.67146
   R17        2.72537   0.00097   0.00159   0.00011   0.00172   2.72709
   R18        2.53954   0.00032   0.00302  -0.00020   0.00286   2.54240
   R19        2.50418   0.00034  -0.00036   0.00016  -0.00023   2.50395
   R20        2.63514   0.00075   0.00104   0.00091   0.00195   2.63708
   R21        2.04293  -0.00006   0.00038  -0.00044  -0.00006   2.04287
   R22        2.65708   0.00045  -0.00006   0.00049   0.00043   2.65751
   R23        2.66236  -0.00010  -0.00171  -0.00074  -0.00245   2.65991
   R24        2.60859   0.00010   0.00017  -0.00017   0.00000   2.60859
   R25        2.04748   0.00002   0.00055  -0.00028   0.00027   2.04776
   R26        2.05030   0.00013  -0.00056   0.00230   0.00174   2.05204
   R27        2.57513   0.00030   0.00000  -0.00059  -0.00056   2.57458
   R28        2.20411  -0.00289  -0.01699  -0.02497  -0.04159   2.16252
   R29        5.46367  -0.00143   0.01989   0.00625   0.02576   5.48942
   R30        2.69575   0.00049  -0.00157  -0.00032  -0.00189   2.69386
   R31        2.67640   0.00065   0.00050   0.00011   0.00062   2.67702
   R32        2.55509  -0.00014  -0.00056   0.00094   0.00035   2.55544
   R33        2.67485   0.00016  -0.00056  -0.00024  -0.00080   2.67404
   R34        2.59527   0.00041   0.00061  -0.00010   0.00051   2.59577
   R35        2.05056   0.00014   0.00031   0.00069   0.00101   2.05157
   R36        2.69799   0.00051   0.00072   0.00068   0.00140   2.69939
   R37        2.04828   0.00005   0.00034  -0.00018   0.00017   2.04845
   R38        2.61024   0.00071   0.00143   0.00058   0.00200   2.61224
   R39        2.66416  -0.00035  -0.00236  -0.00116  -0.00352   2.66064
   R40        2.04661  -0.00004   0.00013  -0.00022  -0.00009   2.04653
   R41        2.65467   0.00001   0.00006   0.00056   0.00061   2.65528
   R42        2.65612  -0.00019  -0.00013   0.00077   0.00064   2.65675
   R43        2.66147  -0.00022  -0.00029   0.00054   0.00025   2.66172
   R44        2.66084  -0.00064  -0.00082  -0.00022  -0.00104   2.65980
   R45        2.66020  -0.00023   0.00010   0.00049   0.00059   2.66079
   R46        2.65844  -0.00020  -0.00013   0.00059   0.00046   2.65890
   R47        2.67378   0.00082   0.00004   0.00021   0.00025   2.67403
   R48        2.63928   0.00063   0.00055   0.00024   0.00078   2.64006
   R49        2.73730   0.00011  -0.00054   0.00009  -0.00045   2.73684
   R50        2.64310   0.00032   0.00046   0.00029   0.00075   2.64386
   R51        2.67471   0.00083   0.00017   0.00015   0.00032   2.67503
   R52        2.64280   0.00031   0.00041   0.00018   0.00059   2.64339
   R53        2.63942   0.00059   0.00059   0.00010   0.00069   2.64011
   R54        2.67551   0.00085   0.00024   0.00009   0.00034   2.67585
   R55        2.63896   0.00082   0.00105   0.00028   0.00133   2.64029
   R56        2.73699   0.00010  -0.00074  -0.00008  -0.00081   2.73617
   R57        2.64359   0.00032   0.00041   0.00015   0.00056   2.64414
   R58        2.67573   0.00078  -0.00008   0.00013   0.00006   2.67579
   R59        2.64369   0.00030   0.00039   0.00018   0.00057   2.64426
   R60        2.63928   0.00060   0.00067   0.00032   0.00100   2.64028
   R61        2.67468   0.00080   0.00009   0.00004   0.00014   2.67482
   R62        2.63850   0.00060   0.00060   0.00011   0.00071   2.63921
   R63        2.73736   0.00016  -0.00065   0.00009  -0.00056   2.73681
   R64        2.64311   0.00032   0.00040   0.00020   0.00060   2.64371
   R65        2.67436   0.00079  -0.00001   0.00012   0.00011   2.67447
   R66        2.64288   0.00032   0.00038   0.00018   0.00056   2.64345
   R67        2.63925   0.00063   0.00063   0.00022   0.00085   2.64011
   R68        2.62971   0.00023   0.00026   0.00007   0.00033   2.63004
   R69        2.05247  -0.00004  -0.00012  -0.00005  -0.00016   2.05231
   R70        2.65152   0.00068   0.00070   0.00030   0.00101   2.65253
   R71        2.05135  -0.00004   0.00003  -0.00007  -0.00004   2.05131
   R72        2.63394   0.00010  -0.00007  -0.00005  -0.00012   2.63382
   R73        2.05187  -0.00001  -0.00010  -0.00004  -0.00014   2.05173
   R74        2.04810   0.00000   0.00020  -0.00002   0.00018   2.04828
   R75        2.63366   0.00009  -0.00009  -0.00001  -0.00010   2.63356
   R76        2.04795  -0.00004   0.00033  -0.00038  -0.00005   2.04790
   R77        2.65209   0.00065   0.00074   0.00024   0.00098   2.65306
   R78        2.05166  -0.00001  -0.00011  -0.00003  -0.00014   2.05152
   R79        2.62934   0.00021   0.00019  -0.00003   0.00015   2.62949
   R80        2.05138  -0.00004   0.00000  -0.00004  -0.00004   2.05134
   R81        2.05250  -0.00003  -0.00009  -0.00008  -0.00016   2.05234
   R82        2.62928   0.00022   0.00016  -0.00006   0.00010   2.62938
   R83        2.05257  -0.00003  -0.00012  -0.00006  -0.00018   2.05239
   R84        2.65262   0.00065   0.00065   0.00021   0.00086   2.65348
   R85        2.05134  -0.00004   0.00001  -0.00006  -0.00005   2.05128
   R86        2.63326   0.00011  -0.00010  -0.00001  -0.00012   2.63315
   R87        2.05188  -0.00001  -0.00011  -0.00004  -0.00015   2.05173
   R88        2.04858  -0.00001   0.00017  -0.00026  -0.00009   2.04849
   R89        2.63343   0.00011  -0.00007  -0.00004  -0.00011   2.63332
   R90        2.04886  -0.00012  -0.00016  -0.00015  -0.00031   2.04855
   R91        2.65271   0.00062   0.00053   0.00023   0.00076   2.65347
   R92        2.05201  -0.00001  -0.00013  -0.00004  -0.00016   2.05185
   R93        2.62959   0.00018   0.00007  -0.00003   0.00004   2.62964
   R94        2.05139  -0.00003   0.00000  -0.00005  -0.00005   2.05135
   R95        2.05255  -0.00003  -0.00010  -0.00007  -0.00017   2.05239
   R96        2.62969   0.00026   0.00025   0.00001   0.00026   2.62995
   R97        2.05244  -0.00003  -0.00012  -0.00006  -0.00018   2.05226
   R98        2.65183   0.00067   0.00063   0.00025   0.00088   2.65271
   R99        2.05128  -0.00003   0.00002  -0.00006  -0.00004   2.05124
   R100       2.63384   0.00011  -0.00006  -0.00001  -0.00007   2.63377
   R101       2.05171  -0.00000  -0.00010  -0.00004  -0.00014   2.05157
   R102       2.04860  -0.00004   0.00012  -0.00019  -0.00006   2.04854
   R103       2.63359   0.00015  -0.00000   0.00004   0.00003   2.63363
   R104       2.04807  -0.00005   0.00001  -0.00007  -0.00005   2.04802
   R105       2.65196   0.00065   0.00061   0.00023   0.00085   2.65280
   R106       2.05185  -0.00000  -0.00010  -0.00003  -0.00013   2.05172
   R107       2.62932   0.00027   0.00023   0.00005   0.00029   2.62961
   R108       2.05132  -0.00003   0.00002  -0.00006  -0.00004   2.05128
   R109       2.05242  -0.00003  -0.00011  -0.00006  -0.00017   2.05225
   R110       3.27828   0.00118   0.03691   0.02923   0.06652   3.34480
    A1        2.09096  -0.00036  -0.00167  -0.00076  -0.00243   2.08853
    A2        2.09627   0.00007   0.00020   0.00078   0.00098   2.09725
    A3        2.09595   0.00029   0.00147  -0.00002   0.00145   2.09740
    A4        2.11986   0.00017   0.00071   0.00063   0.00134   2.12119
    A5        2.05243   0.00005   0.00021  -0.00049  -0.00028   2.05215
    A6        2.11072  -0.00022  -0.00094  -0.00015  -0.00108   2.10963
    A7        2.06290  -0.00004   0.00033  -0.00013   0.00020   2.06309
    A8        2.13091   0.00002  -0.00029   0.00030   0.00003   2.13095
    A9        2.08907   0.00003  -0.00010  -0.00020  -0.00032   2.08874
   A10        2.09262  -0.00005   0.00005  -0.00046  -0.00041   2.09221
   A11        2.09983   0.00001   0.00002   0.00015   0.00015   2.09998
   A12        2.09072   0.00005  -0.00010   0.00030   0.00022   2.09094
   A13        2.11336   0.00014  -0.00025   0.00049   0.00023   2.11359
   A14        2.06152   0.00011   0.00121  -0.00006   0.00115   2.06268
   A15        2.10813  -0.00026  -0.00098  -0.00044  -0.00142   2.10672
   A16        2.08639   0.00015   0.00091   0.00029   0.00119   2.08759
   A17        2.08703   0.00027   0.00127   0.00011   0.00138   2.08841
   A18        2.10960  -0.00042  -0.00222  -0.00043  -0.00265   2.10695
   A19        2.10456   0.00002   0.00048  -0.00028   0.00018   2.10474
   A20        2.11087   0.00036  -0.00093   0.00223   0.00131   2.11218
   A21        2.06775  -0.00038   0.00045  -0.00194  -0.00149   2.06627
   A22        2.08313  -0.00008  -0.00042  -0.00071  -0.00111   2.08202
   A23        2.07862   0.00008  -0.00131   0.00270   0.00139   2.08001
   A24        2.12141   0.00000   0.00173  -0.00200  -0.00028   2.12113
   A25        2.10006   0.00033  -0.00054   0.00247   0.00191   2.10197
   A26        2.13197  -0.00010   0.00497  -0.00240   0.00251   2.13447
   A27        2.05116  -0.00023  -0.00444  -0.00009  -0.00447   2.04669
   A28        2.08798  -0.00030  -0.00001  -0.00180  -0.00180   2.08617
   A29        2.06333   0.00043  -0.00206   0.00366   0.00159   2.06492
   A30        2.13180  -0.00012   0.00207  -0.00185   0.00023   2.13202
   A31        2.12522   0.00030   0.00109   0.00026   0.00135   2.12656
   A32        2.10221  -0.00017  -0.00024   0.00030   0.00005   2.10225
   A33        2.05541  -0.00013  -0.00075  -0.00052  -0.00128   2.05413
   A34        2.08308  -0.00017  -0.00162   0.00063  -0.00098   2.08210
   A35        2.09876  -0.00008   0.00062  -0.00098  -0.00037   2.09839
   A36        2.10133   0.00025   0.00100   0.00035   0.00135   2.10268
   A37        2.09481   0.00002   0.00099   0.00001   0.00101   2.09582
   A38        2.09347   0.00032   0.00079   0.00065   0.00143   2.09490
   A39        2.09472  -0.00034  -0.00178  -0.00067  -0.00246   2.09227
   A40        2.11616   0.00016   0.00038  -0.00163  -0.00125   2.11491
   A41        2.10335  -0.00001   0.00071  -0.00057   0.00014   2.10349
   A42        2.06366  -0.00015  -0.00108   0.00218   0.00110   2.06476
   A43        2.12477   0.00023   0.00198   0.00273   0.00450   2.12928
   A44        2.16821   0.00032  -0.00605  -0.00284  -0.00882   2.15939
   A45        2.25416  -0.00015  -0.00013  -0.00532  -0.00591   2.24825
   A46        1.98107  -0.00055   0.00548   0.00206   0.00752   1.98860
   A47        1.88745   0.00000   0.00116   0.00590   0.00671   1.89416
   A48        2.06844  -0.00015   0.00087  -0.00268  -0.00174   2.06669
   A49        2.12029  -0.00011  -0.00182   0.00029  -0.00157   2.11872
   A50        2.09446   0.00026   0.00095   0.00239   0.00331   2.09776
   A51        2.10820   0.00013  -0.00120   0.00092  -0.00029   2.10791
   A52        2.08661  -0.00016   0.00005  -0.00148  -0.00142   2.08520
   A53        2.08835   0.00002   0.00115   0.00056   0.00172   2.09007
   A54        2.08092   0.00015   0.00082   0.00107   0.00184   2.08276
   A55        2.07859  -0.00027  -0.00107  -0.00162  -0.00268   2.07591
   A56        2.07723  -0.00016  -0.00124  -0.00078  -0.00203   2.07520
   A57        2.12699   0.00043   0.00228   0.00242   0.00470   2.13168
   A58        2.12187   0.00014   0.00069   0.00022   0.00090   2.12277
   A59        2.09083  -0.00027  -0.00144  -0.00019  -0.00164   2.08920
   A60        2.07025   0.00013   0.00074  -0.00004   0.00070   2.07096
   A61        2.09059  -0.00011  -0.00109   0.00018  -0.00091   2.08967
   A62        2.08091   0.00011   0.00056   0.00009   0.00066   2.08157
   A63        2.11147   0.00001   0.00052  -0.00030   0.00023   2.11170
   A64        2.09398   0.00013   0.00035   0.00023   0.00057   2.09454
   A65        2.06349  -0.00007   0.00011   0.00006   0.00018   2.06367
   A66        2.12559  -0.00006  -0.00044  -0.00028  -0.00071   2.12488
   A67        2.19417   0.00003   0.00089  -0.00014   0.00075   2.19492
   A68        2.19975  -0.00023  -0.00096   0.00042  -0.00053   2.19922
   A69        1.88926   0.00020   0.00007  -0.00028  -0.00021   1.88905
   A70        2.19361  -0.00003  -0.00059   0.00055  -0.00004   2.19357
   A71        2.20181  -0.00029   0.00026  -0.00055  -0.00029   2.20152
   A72        1.88776   0.00033   0.00033  -0.00000   0.00033   1.88808
   A73        2.20045  -0.00010   0.00063  -0.00022   0.00041   2.20086
   A74        2.19388  -0.00013  -0.00059   0.00036  -0.00022   2.19366
   A75        1.88884   0.00023  -0.00005  -0.00014  -0.00019   1.88865
   A76        1.89938  -0.00007  -0.00027  -0.00016  -0.00043   1.89895
   A77        2.26054   0.00042   0.00050   0.00020   0.00070   2.26124
   A78        2.12204  -0.00035  -0.00029  -0.00004  -0.00032   2.12172
   A79        1.86922  -0.00015   0.00008   0.00007   0.00015   1.86937
   A80        2.08774   0.00021   0.00042  -0.00003   0.00039   2.08813
   A81        2.32614  -0.00006  -0.00053  -0.00006  -0.00060   2.32554
   A82        1.86937  -0.00015  -0.00004  -0.00005  -0.00009   1.86928
   A83        2.32592  -0.00002  -0.00038   0.00021  -0.00017   2.32575
   A84        2.08778   0.00018   0.00039  -0.00019   0.00020   2.08797
   A85        1.89904   0.00004  -0.00010   0.00014   0.00004   1.89909
   A86        2.26275   0.00023   0.00047  -0.00049  -0.00002   2.26273
   A87        2.12006  -0.00027  -0.00038   0.00033  -0.00005   2.12002
   A88        1.90022  -0.00005  -0.00027   0.00009  -0.00019   1.90004
   A89        2.25913   0.00052   0.00162   0.00015   0.00176   2.26089
   A90        2.12304  -0.00047  -0.00145  -0.00033  -0.00179   2.12126
   A91        1.86775  -0.00010   0.00014   0.00007   0.00021   1.86796
   A92        2.08577   0.00029   0.00103   0.00031   0.00133   2.08710
   A93        2.32961  -0.00019  -0.00120  -0.00040  -0.00161   2.32800
   A94        1.86791  -0.00006   0.00015   0.00018   0.00032   1.86823
   A95        2.32906  -0.00017  -0.00097  -0.00055  -0.00152   2.32754
   A96        2.08615   0.00024   0.00080   0.00035   0.00115   2.08730
   A97        1.89963   0.00001  -0.00008  -0.00005  -0.00014   1.89949
   A98        2.26045   0.00034   0.00090   0.00043   0.00133   2.26178
   A99        2.12233  -0.00035  -0.00090  -0.00046  -0.00136   2.12097
   A100       1.89839   0.00000  -0.00021   0.00003  -0.00018   1.89821
   A101       2.26213   0.00028   0.00099  -0.00020   0.00080   2.26293
   A102       2.12164  -0.00029  -0.00085   0.00011  -0.00074   2.12090
   A103       1.86938  -0.00012   0.00023   0.00005   0.00028   1.86966
   A104       2.08724   0.00019   0.00074  -0.00002   0.00071   2.08796
   A105       2.32649  -0.00008  -0.00100  -0.00005  -0.00105   2.32545
   A106       1.86862  -0.00013  -0.00002   0.00015   0.00012   1.86874
   A107       2.32758  -0.00007  -0.00075  -0.00022  -0.00098   2.32661
   A108       2.08688   0.00020   0.00074   0.00005   0.00078   2.08766
   A109       1.89951   0.00001   0.00006  -0.00009  -0.00003   1.89948
   A110       2.26058   0.00027   0.00053   0.00001   0.00054   2.26112
   A111       2.12201  -0.00028  -0.00069   0.00001  -0.00068   2.12133
   A112       2.07972  -0.00003  -0.00024  -0.00001  -0.00025   2.07947
   A113       2.09994   0.00001   0.00080  -0.00001   0.00079   2.10073
   A114       2.10349   0.00002  -0.00056   0.00002  -0.00054   2.10295
   A115       2.10380  -0.00006   0.00009   0.00004   0.00013   2.10394
   A116       2.09206  -0.00001  -0.00061  -0.00003  -0.00064   2.09142
   A117       2.08731   0.00007   0.00051  -0.00001   0.00050   2.08780
   A118       2.11858   0.00016  -0.00015   0.00007  -0.00007   2.11850
   A119       2.08632  -0.00001  -0.00007  -0.00000  -0.00008   2.08624
   A120       2.07829  -0.00015   0.00021  -0.00007   0.00014   2.07842
   A121       2.05595   0.00003   0.00030  -0.00022   0.00008   2.05603
   A122       2.12118   0.00015   0.00061  -0.00004   0.00057   2.12175
   A123       2.10597  -0.00019  -0.00090   0.00026  -0.00064   2.10533
   A124       2.05367   0.00009   0.00020  -0.00000   0.00020   2.05387
   A125       2.12422   0.00011   0.00062   0.00005   0.00067   2.12489
   A126       2.10528  -0.00019  -0.00082  -0.00005  -0.00086   2.10441
   A127       2.11963   0.00014  -0.00013   0.00010  -0.00003   2.11960
   A128       2.07675  -0.00011   0.00018   0.00001   0.00019   2.07694
   A129       2.08681  -0.00003  -0.00005  -0.00011  -0.00017   2.08664
   A130       2.10421  -0.00006   0.00017  -0.00007   0.00010   2.10430
   A131       2.08711   0.00006   0.00045  -0.00001   0.00044   2.08754
   A132       2.09186  -0.00001  -0.00062   0.00008  -0.00053   2.09132
   A133       2.07863  -0.00003  -0.00036   0.00007  -0.00029   2.07835
   A134       2.10054   0.00001   0.00078  -0.00002   0.00076   2.10130
   A135       2.10399   0.00002  -0.00042  -0.00005  -0.00047   2.10352
   A136       2.07959  -0.00003  -0.00027   0.00001  -0.00026   2.07933
   A137       2.10052  -0.00001   0.00066  -0.00012   0.00054   2.10107
   A138       2.10304   0.00004  -0.00039   0.00011  -0.00028   2.10276
   A139       2.10465  -0.00010  -0.00011  -0.00025  -0.00036   2.10428
   A140       2.09172   0.00002  -0.00045   0.00014  -0.00030   2.09141
   A141       2.08681   0.00008   0.00055   0.00011   0.00066   2.08747
   A142       2.11866   0.00017  -0.00007   0.00024   0.00017   2.11883
   A143       2.08573   0.00000   0.00002   0.00001   0.00004   2.08577
   A144       2.07878  -0.00017   0.00005  -0.00026  -0.00021   2.07857
   A145       2.05471   0.00007   0.00055   0.00010   0.00064   2.05535
   A146       2.11954   0.00018   0.00091   0.00039   0.00130   2.12084
   A147       2.10890  -0.00025  -0.00145  -0.00049  -0.00194   2.10696
   A148       2.05435   0.00009   0.00081   0.00002   0.00083   2.05518
   A149       2.11927   0.00020   0.00100   0.00031   0.00131   2.12058
   A150       2.10953  -0.00030  -0.00181  -0.00033  -0.00215   2.10739
   A151       2.11861   0.00019  -0.00007   0.00024   0.00017   2.11878
   A152       2.07885  -0.00016   0.00019  -0.00029  -0.00010   2.07875
   A153       2.08572  -0.00003  -0.00012   0.00004  -0.00008   2.08564
   A154       2.10469  -0.00007  -0.00013  -0.00021  -0.00034   2.10434
   A155       2.08684   0.00008   0.00065   0.00010   0.00075   2.08759
   A156       2.09165  -0.00000  -0.00053   0.00011  -0.00042   2.09123
   A157       2.07962  -0.00002  -0.00022  -0.00003  -0.00025   2.07937
   A158       2.10039   0.00001   0.00081  -0.00009   0.00072   2.10111
   A159       2.10315   0.00001  -0.00059   0.00012  -0.00047   2.10268
   A160       2.07927  -0.00005  -0.00038  -0.00002  -0.00040   2.07888
   A161       2.10049   0.00002   0.00079  -0.00004   0.00074   2.10124
   A162       2.10339   0.00003  -0.00041   0.00006  -0.00035   2.10304
   A163       2.10457  -0.00006   0.00001  -0.00008  -0.00007   2.10449
   A164       2.09164  -0.00000  -0.00053   0.00005  -0.00047   2.09117
   A165       2.08695   0.00006   0.00051   0.00003   0.00054   2.08749
   A166       2.11859   0.00017  -0.00005   0.00017   0.00011   2.11870
   A167       2.08638  -0.00001   0.00001   0.00000   0.00002   2.08639
   A168       2.07821  -0.00015   0.00003  -0.00017  -0.00014   2.07807
   A169       2.05455   0.00002   0.00037  -0.00013   0.00024   2.05479
   A170       2.12295   0.00017   0.00084   0.00022   0.00106   2.12400
   A171       2.10563  -0.00019  -0.00120  -0.00009  -0.00129   2.10434
   A172       2.05479   0.00004   0.00052  -0.00013   0.00039   2.05518
   A173       2.12101   0.00017   0.00094   0.00021   0.00114   2.12215
   A174       2.10735  -0.00021  -0.00145  -0.00008  -0.00153   2.10582
   A175       2.11906   0.00016  -0.00007   0.00013   0.00006   2.11912
   A176       2.07811  -0.00015   0.00006  -0.00016  -0.00011   2.07800
   A177       2.08602  -0.00001   0.00001   0.00004   0.00004   2.08606
   A178       2.10410  -0.00007  -0.00009  -0.00008  -0.00017   2.10393
   A179       2.08723   0.00007   0.00054   0.00002   0.00056   2.08779
   A180       2.09185   0.00000  -0.00046   0.00006  -0.00040   2.09145
   A181       2.07927  -0.00003  -0.00026  -0.00000  -0.00026   2.07901
   A182       2.10033   0.00000   0.00064  -0.00010   0.00055   2.10087
   A183       2.10356   0.00003  -0.00038   0.00010  -0.00028   2.10328
    D1        0.01286   0.00000  -0.00053   0.00046  -0.00007   0.01279
    D2       -3.10823   0.00006   0.00048   0.00086   0.00134  -3.10689
    D3       -3.12716  -0.00000   0.00066  -0.00007   0.00058  -3.12658
    D4        0.03494   0.00005   0.00167   0.00032   0.00199   0.03693
    D5        0.00772  -0.00005  -0.00209  -0.00250  -0.00459   0.00314
    D6       -3.11461  -0.00001   0.00029  -0.00103  -0.00074  -3.11535
    D7       -3.13544  -0.00004  -0.00327  -0.00197  -0.00524  -3.14068
    D8        0.02541   0.00000  -0.00090  -0.00050  -0.00139   0.02402
    D9       -2.26286   0.00009  -0.00924  -0.00617  -0.01540  -2.27827
   D10        0.88162   0.00009  -0.00909  -0.00503  -0.01412   0.86750
   D11        0.88030   0.00009  -0.00804  -0.00670  -0.01474   0.86556
   D12       -2.25840   0.00009  -0.00790  -0.00556  -0.01346  -2.27185
   D13       -0.02328   0.00004   0.00342   0.00260   0.00602  -0.01726
   D14       -3.13817   0.00008   0.00582   0.00405   0.00987  -3.12830
   D15        3.09712  -0.00001   0.00239   0.00219   0.00457   3.10169
   D16       -0.01777   0.00002   0.00478   0.00364   0.00842  -0.00934
   D17        0.01358  -0.00005  -0.00375  -0.00365  -0.00740   0.00619
   D18       -3.13527  -0.00003  -0.00672  -0.00543  -0.01215   3.13577
   D19        3.12913  -0.00008  -0.00609  -0.00506  -0.01115   3.11798
   D20       -0.01972  -0.00007  -0.00906  -0.00684  -0.01590  -0.03562
   D21        3.12606   0.00006   0.00454   0.00513   0.00966   3.13572
   D22       -0.01810   0.00003   0.00598   0.00637   0.01234  -0.00575
   D23        0.01156   0.00010   0.00696   0.00660   0.01356   0.02512
   D24       -3.13259   0.00007   0.00840   0.00784   0.01624  -3.11635
   D25        0.00651   0.00000   0.00123   0.00168   0.00291   0.00942
   D26        3.12859  -0.00001  -0.00002   0.00100   0.00098   3.12957
   D27       -3.12786  -0.00001   0.00418   0.00346   0.00764  -3.12022
   D28       -0.00578  -0.00002   0.00293   0.00277   0.00571  -0.00007
   D29       -0.01430   0.00006   0.00301   0.00120   0.00421  -0.01009
   D30        3.14060  -0.00002   0.00271   0.00047   0.00317  -3.13941
   D31        3.12004   0.00007   0.00004  -0.00058  -0.00054   3.11950
   D32       -0.00825  -0.00001  -0.00026  -0.00132  -0.00157  -0.00983
   D33       -0.01730   0.00005   0.00173   0.00143   0.00316  -0.01415
   D34        3.10478   0.00001  -0.00063  -0.00006  -0.00068   3.10409
   D35       -3.13886   0.00005   0.00299   0.00212   0.00511  -3.13375
   D36       -0.01678   0.00002   0.00062   0.00064   0.00127  -0.01551
   D37        0.03056  -0.00010   0.00134  -0.00054   0.00080   0.03136
   D38       -3.10302  -0.00011   0.00087   0.00051   0.00138  -3.10164
   D39       -3.10853  -0.00007  -0.00006  -0.00176  -0.00181  -3.11034
   D40        0.04107  -0.00008  -0.00053  -0.00070  -0.00123   0.03984
   D41        3.11566   0.00001  -0.00306  -0.00008  -0.00315   3.11251
   D42       -0.05522   0.00006   0.00094   0.00120   0.00214  -0.05308
   D43       -0.02844  -0.00002  -0.00165   0.00114  -0.00052  -0.02896
   D44        3.08387   0.00003   0.00235   0.00241   0.00476   3.08863
   D45       -0.06486   0.00007  -0.00745  -0.00530  -0.01275  -0.07761
   D46        3.08065   0.00016  -0.00443  -0.00041  -0.00483   3.07582
   D47        3.06852   0.00008  -0.00698  -0.00637  -0.01334   3.05518
   D48       -0.06916   0.00017  -0.00396  -0.00147  -0.00542  -0.07457
   D49       -0.02414   0.00010   0.00276  -0.00029   0.00247  -0.02167
   D50        3.12433  -0.00003   0.00084   0.00297   0.00381   3.12814
   D51        3.12564   0.00010   0.00229   0.00078   0.00307   3.12871
   D52       -0.00908  -0.00003   0.00037   0.00404   0.00441  -0.00467
   D53        0.05694  -0.00005   0.00539   0.00503   0.01043   0.06737
   D54       -3.09849   0.00004   0.00569   0.00584   0.01151  -3.08698
   D55       -3.08838  -0.00013   0.00252   0.00036   0.00290  -3.08548
   D56        0.03937  -0.00004   0.00281   0.00117   0.00399   0.04336
   D57        3.09020   0.00003   0.00235  -0.00025   0.00213   3.09233
   D58       -0.20572  -0.00005   0.01635   0.01632   0.03254  -0.17318
   D59       -0.27161   0.00055   0.01853   0.02196   0.04057  -0.23103
   D60       -0.04758   0.00011   0.00530   0.00450   0.00980  -0.03778
   D61        2.93968   0.00003   0.01929   0.02107   0.04022   2.97989
   D62        2.87379   0.00063   0.02147   0.02672   0.04825   2.92204
   D63        3.12543   0.00005  -0.00576  -0.00352  -0.00926   3.11617
   D64       -0.00251  -0.00003  -0.00605  -0.00427  -0.01031  -0.01282
   D65       -0.00224   0.00009   0.00161  -0.00049   0.00112  -0.00111
   D66       -3.13833   0.00006   0.00083  -0.00015   0.00069  -3.13765
   D67       -3.11530   0.00005  -0.00229  -0.00174  -0.00404  -3.11934
   D68        0.03179   0.00001  -0.00307  -0.00141  -0.00448   0.02731
   D69        0.02028  -0.00006   0.00063  -0.00050   0.00014   0.02041
   D70       -3.10053  -0.00000   0.00086   0.00008   0.00095  -3.09958
   D71       -3.12682  -0.00002   0.00142  -0.00084   0.00057  -3.12625
   D72        0.03556   0.00003   0.00164  -0.00026   0.00139   0.03695
   D73       -2.32420   0.00017   0.00234   0.00157   0.00392  -2.32029
   D74        0.81516   0.00015   0.00124  -0.00044   0.00081   0.81597
   D75        0.82294   0.00014   0.00157   0.00191   0.00348   0.82642
   D76       -2.32088   0.00012   0.00047  -0.00010   0.00037  -2.32051
   D77       -0.00688  -0.00004  -0.00283   0.00087  -0.00195  -0.00884
   D78        3.12799   0.00009  -0.00095  -0.00232  -0.00327   3.12471
   D79        3.11390  -0.00009  -0.00303   0.00030  -0.00272   3.11119
   D80       -0.03441   0.00004  -0.00115  -0.00290  -0.00404  -0.03845
   D81        0.02086  -0.00011  -0.00962  -0.00690  -0.01652   0.00434
   D82       -3.12025  -0.00011  -0.01083  -0.00887  -0.01969  -3.13994
   D83       -2.98169  -0.00010  -0.02132  -0.02141  -0.04285  -3.02454
   D84        0.16039  -0.00010  -0.02253  -0.02338  -0.04602   0.11437
   D85       -2.94152  -0.00050  -0.02291  -0.02374  -0.04663  -2.98815
   D86        0.20055  -0.00051  -0.02412  -0.02571  -0.04980   0.15075
   D87        0.01784   0.00004   0.00640   0.00373   0.01010   0.02794
   D88       -3.11755   0.00004   0.00457   0.00242   0.00698  -3.11057
   D89       -3.12423   0.00004   0.00759   0.00566   0.01323  -3.11100
   D90        0.02357   0.00004   0.00576   0.00436   0.01011   0.03368
   D91        3.13239  -0.00002  -0.00215  -0.00084  -0.00298   3.12941
   D92       -0.03810  -0.00007  -0.00327  -0.00036  -0.00362  -0.04172
   D93       -0.00871  -0.00002  -0.00338  -0.00284  -0.00621  -0.01492
   D94        3.10398  -0.00008  -0.00450  -0.00235  -0.00685   3.09713
   D95       -0.02599   0.00003   0.00135   0.00177   0.00310  -0.02289
   D96        3.10939   0.00003   0.00318   0.00307   0.00622   3.11561
   D97       -0.01950  -0.00004  -0.00417  -0.00263  -0.00679  -0.02629
   D98        3.10524  -0.00005  -0.00289  -0.00143  -0.00431   3.10092
   D99        3.12823  -0.00004  -0.00598  -0.00393  -0.00987   3.11836
   D100      -0.03022  -0.00004  -0.00469  -0.00272  -0.00739  -0.03762
   D101      -0.01024  -0.00001  -0.00057  -0.00039  -0.00097  -0.01121
   D102       3.10798  -0.00004  -0.00159  -0.00123  -0.00283   3.10516
   D103      -3.12207   0.00006   0.00063  -0.00083  -0.00019  -3.12226
   D104      -0.00385   0.00003  -0.00038  -0.00167  -0.00205  -0.00590
   D105       0.01439   0.00002   0.00215   0.00209   0.00424   0.01862
   D106       3.13372   0.00004   0.00213   0.00087   0.00300   3.13672
   D107      -3.10411   0.00005   0.00318   0.00293   0.00611  -3.09800
   D108       0.01522   0.00008   0.00316   0.00171   0.00487   0.02010
   D109       0.00093   0.00001   0.00029  -0.00051  -0.00021   0.00072
   D110      -3.12319   0.00002  -0.00104  -0.00176  -0.00279  -3.12598
   D111      -3.11801  -0.00002   0.00031   0.00073   0.00104  -3.11696
   D112       0.04106  -0.00001  -0.00102  -0.00052  -0.00153   0.03953
   D113      -2.28587   0.00013  -0.00277  -0.00167  -0.00444  -2.29031
   D114       0.84891   0.00013  -0.00296  -0.00141  -0.00437   0.84454
   D115       0.83319   0.00016  -0.00282  -0.00290  -0.00571   0.82747
   D116      -2.31521   0.00015  -0.00301  -0.00264  -0.00564  -2.32086
   D117      -3.14001   0.00001   0.00098   0.00063   0.00161  -3.13840
   D118       0.04441   0.00004   0.00382   0.00320   0.00703   0.05144
   D119      -0.00089   0.00001   0.00086  -0.00034   0.00052  -0.00036
   D120      -3.09965   0.00004   0.00370   0.00223   0.00594  -3.09371
   D121       3.13727   0.00000  -0.00070  -0.00061  -0.00130   3.13597
   D122       0.03823   0.00002   0.00152   0.00158   0.00310   0.04134
   D123      -0.00185   0.00000  -0.00058   0.00037  -0.00021  -0.00206
   D124      -3.10088   0.00003   0.00164   0.00255   0.00420  -3.09669
   D125       3.13717  -0.00003  -0.00157  -0.00138  -0.00294   3.13422
   D126       0.04906  -0.00005  -0.00057  -0.00121  -0.00178   0.04729
   D127      -0.00253  -0.00001  -0.00063   0.00033  -0.00030  -0.00283
   D128      -3.09064  -0.00004   0.00036   0.00051   0.00087  -3.08977
   D129      -3.14041   0.00004   0.00187   0.00127   0.00314  -3.13727
   D130       0.05681   0.00000   0.00190   0.00171   0.00362   0.06043
   D131      -0.00072   0.00002   0.00093  -0.00045   0.00048  -0.00024
   D132      -3.08668  -0.00002   0.00097  -0.00001   0.00096  -3.08572
   D133       3.12732   0.00002   0.00048  -0.00011   0.00037   3.12770
   D134       0.03461   0.00002   0.00194   0.00125   0.00318   0.03779
   D135      -0.00845   0.00003   0.00065  -0.00034   0.00032  -0.00813
   D136      -3.10117   0.00002   0.00210   0.00102   0.00313  -3.09804
   D137      -3.13036  -0.00001  -0.00006  -0.00002  -0.00008  -3.13044
   D138       0.06148  -0.00001   0.00231   0.00156   0.00387   0.06535
   D139       0.00544  -0.00002  -0.00022   0.00020  -0.00002   0.00542
   D140      -3.08590  -0.00002   0.00215   0.00178   0.00393  -3.08197
   D141       0.00470  -0.00000   0.00011  -0.00009   0.00001   0.00471
   D142      -3.12427   0.00003   0.00218   0.00125   0.00343  -3.12084
   D143       3.09786   0.00005  -0.00076  -0.00024  -0.00101   3.09686
   D144      -0.03110   0.00007   0.00131   0.00110   0.00241  -0.02869
   D145       3.11270  -0.00002  -0.00140  -0.00090  -0.00230   3.11040
   D146      -0.02113  -0.00002  -0.00274  -0.00174  -0.00448  -0.02561
   D147       0.03055  -0.00005  -0.00030  -0.00071  -0.00101   0.02954
   D148      -3.10329  -0.00006  -0.00164  -0.00155  -0.00318  -3.10647
   D149      -0.00507   0.00002   0.00046  -0.00018   0.00028  -0.00480
   D150       3.11932  -0.00002  -0.00214  -0.00164  -0.00378   3.11554
   D151       3.12144  -0.00001  -0.00201  -0.00178  -0.00379   3.11765
   D152      -0.03735  -0.00005  -0.00460  -0.00324  -0.00784  -0.04520
   D153       0.00975  -0.00004  -0.00113  -0.00078  -0.00191   0.00785
   D154      -3.13953  -0.00002  -0.00106  -0.00045  -0.00151  -3.14104
   D155      -3.11526  -0.00001   0.00158   0.00098   0.00256  -3.11270
   D156       0.01864   0.00001   0.00165   0.00131   0.00296   0.02160
   D157       0.00359  -0.00002  -0.00085   0.00039  -0.00046   0.00313
   D158       3.09496   0.00003  -0.00085  -0.00004  -0.00090   3.09407
   D159      -3.12359   0.00001   0.00133   0.00161   0.00294  -3.12066
   D160      -0.03222   0.00006   0.00132   0.00118   0.00250  -0.02972
   D161      -3.11194  -0.00001   0.00150   0.00070   0.00221  -3.10973
   D162       0.02048   0.00002   0.00163   0.00115   0.00279   0.02327
   D163       0.01074  -0.00004  -0.00135  -0.00090  -0.00225   0.00849
   D164      -3.14003  -0.00002  -0.00122  -0.00045  -0.00167   3.14149
   D165       3.11026   0.00002  -0.00015  -0.00123  -0.00137   3.10888
   D166      -0.01703   0.00003  -0.00138  -0.00141  -0.00280  -0.01982
   D167       0.03041  -0.00004  -0.00012  -0.00072  -0.00084   0.02957
   D168      -3.09687  -0.00002  -0.00135  -0.00091  -0.00226  -3.09913
   D169       0.00319  -0.00002  -0.00080   0.00018  -0.00062   0.00257
   D170      -3.12794   0.00002   0.00168   0.00192   0.00361  -3.12433
   D171       3.10593  -0.00002  -0.00329  -0.00214  -0.00542   3.10051
   D172      -0.02520   0.00002  -0.00081  -0.00040  -0.00119  -0.02639
   D173       3.11789  -0.00002  -0.00160  -0.00207  -0.00369   3.11420
   D174      -0.01525   0.00001  -0.00151  -0.00182  -0.00333  -0.01859
   D175       0.02390  -0.00000   0.00152   0.00077   0.00228   0.02619
   D176      -3.10924   0.00003   0.00161   0.00103   0.00263  -3.10660
   D177      -0.00426   0.00002   0.00044   0.00004   0.00049  -0.00377
   D178       3.12511  -0.00002  -0.00199  -0.00200  -0.00398   3.12113
   D179       3.12478  -0.00002  -0.00252  -0.00204  -0.00455   3.12024
   D180      -0.02904  -0.00006  -0.00495  -0.00408  -0.00901  -0.03805
   D181       0.00868  -0.00003  -0.00032  -0.00035  -0.00068   0.00800
   D182      -3.14042  -0.00001  -0.00069  -0.00013  -0.00082  -3.14124
   D183      -3.11912   0.00002   0.00293   0.00194   0.00487  -3.11425
   D184       0.01497   0.00004   0.00257   0.00216   0.00472   0.01969
   D185       0.00378  -0.00001   0.00008  -0.00025  -0.00017   0.00361
   D186       3.10683  -0.00001  -0.00187  -0.00221  -0.00408   3.10275
   D187      -3.12761   0.00002   0.00212   0.00146   0.00358  -3.12403
   D188      -0.02456   0.00002   0.00016  -0.00050  -0.00033  -0.02489
   D189      -3.11954   0.00002   0.00189   0.00201   0.00389  -3.11565
   D190       0.01491   0.00004   0.00191   0.00205   0.00396   0.01887
   D191       0.00861  -0.00003  -0.00078  -0.00024  -0.00102   0.00759
   D192      -3.14012  -0.00001  -0.00076  -0.00019  -0.00095  -3.14107
   D193       3.11703  -0.00002  -0.00168  -0.00165  -0.00334   3.11369
   D194      -0.01459  -0.00000  -0.00209  -0.00148  -0.00357  -0.01816
   D195       0.02273  -0.00000   0.00075   0.00077   0.00151   0.02424
   D196      -3.10889   0.00001   0.00035   0.00093   0.00128  -3.10760
   D197       0.00810  -0.00003  -0.00081   0.00034  -0.00048   0.00762
   D198      -3.12217   0.00001   0.00128   0.00160   0.00288  -3.11929
   D199       3.10550  -0.00000  -0.00206  -0.00090  -0.00297   3.10254
   D200      -0.02477   0.00003   0.00003   0.00036   0.00039  -0.02437
   D201       3.10911   0.00001  -0.00055  -0.00159  -0.00214   3.10697
   D202      -0.02286   0.00002  -0.00108  -0.00154  -0.00262  -0.02548
   D203       0.02183  -0.00001   0.00104  -0.00008   0.00096   0.02279
   D204      -3.11014   0.00001   0.00051  -0.00003   0.00048  -3.10966
   D205      -0.00470   0.00002   0.00067  -0.00021   0.00046  -0.00424
   D206       3.12076  -0.00002  -0.00228  -0.00222  -0.00450   3.11626
   D207       3.12336  -0.00002  -0.00181  -0.00172  -0.00353   3.11984
   D208      -0.03436  -0.00005  -0.00477  -0.00373  -0.00848  -0.04284
   D209       0.00923  -0.00003  -0.00085  -0.00051  -0.00136   0.00787
   D210      -3.14047  -0.00001  -0.00083  -0.00026  -0.00109  -3.14156
   D211      -3.11749   0.00001   0.00188   0.00115   0.00303  -3.11446
   D212       0.01599   0.00003   0.00190   0.00140   0.00330   0.01929
   D213      -0.00042   0.00000  -0.00028   0.00001  -0.00027  -0.00069
   D214       3.09567   0.00002  -0.00238  -0.00142  -0.00380   3.09187
   D215      -3.12853   0.00003   0.00220   0.00169   0.00389  -3.12463
   D216      -0.03244   0.00005   0.00010   0.00026   0.00036  -0.03208
   D217      -3.11401   0.00000   0.00246   0.00170   0.00416  -3.10985
   D218       0.01912   0.00003   0.00248   0.00195   0.00443   0.02355
   D219       0.00985  -0.00004  -0.00079  -0.00050  -0.00129   0.00856
   D220      -3.14020  -0.00001  -0.00078  -0.00025  -0.00103  -3.14123
   D221       3.11839  -0.00002  -0.00176  -0.00166  -0.00343   3.11496
   D222      -0.01153  -0.00001  -0.00204  -0.00186  -0.00391  -0.01544
   D223       0.03264  -0.00003   0.00084   0.00009   0.00093   0.03357
   D224      -3.09728  -0.00002   0.00056  -0.00011   0.00045  -3.09683
   D225       0.01111   0.00001   0.00023   0.00021   0.00044   0.01155
   D226      -3.13776  -0.00003  -0.00046   0.00001  -0.00045  -3.13821
   D227      -3.12129  -0.00001   0.00009  -0.00024  -0.00015  -3.12144
   D228       0.01303  -0.00005  -0.00060  -0.00044  -0.00104   0.01199
   D229      -0.01265   0.00001   0.00101   0.00023   0.00124  -0.01141
   D230       3.12563  -0.00002  -0.00100  -0.00010  -0.00110   3.12453
   D231       3.13619   0.00005   0.00170   0.00044   0.00214   3.13833
   D232      -0.00871   0.00001  -0.00031   0.00010  -0.00021  -0.00892
   D233      -0.00809  -0.00000  -0.00105   0.00002  -0.00103  -0.00912
   D234       3.11932  -0.00001   0.00018   0.00021   0.00039   3.11972
   D235       3.13680   0.00003   0.00095   0.00036   0.00131   3.13811
   D236      -0.01897   0.00002   0.00219   0.00054   0.00273  -0.01625
   D237      -0.00965  -0.00000  -0.00087   0.00002  -0.00085  -0.01050
   D238       3.13428   0.00002   0.00068  -0.00001   0.00067   3.13495
   D239       3.12428   0.00001   0.00046   0.00085   0.00131   3.12558
   D240      -0.01498   0.00003   0.00201   0.00082   0.00282  -0.01216
   D241      -0.01089   0.00002   0.00104   0.00027   0.00131  -0.00957
   D242       3.13685   0.00004   0.00104   0.00024   0.00128   3.13813
   D243       3.12836  -0.00000  -0.00052   0.00031  -0.00021   3.12815
   D244      -0.00709   0.00002  -0.00052   0.00028  -0.00024  -0.00733
   D245       0.01066  -0.00000  -0.00000   0.00011   0.00011   0.01077
   D246      -3.12322  -0.00002  -0.00007  -0.00022  -0.00029  -3.12351
   D247      -3.13709  -0.00002  -0.00000   0.00014   0.00014  -3.13695
   D248       0.01221  -0.00004  -0.00007  -0.00019  -0.00026   0.01195
   D249       0.00804   0.00002   0.00049   0.00068   0.00118   0.00922
   D250      -3.13816  -0.00002  -0.00022   0.00016  -0.00006  -3.13822
   D251      -3.12640   0.00000   0.00047   0.00064   0.00110  -3.12530
   D252       0.01058  -0.00004  -0.00024   0.00011  -0.00013   0.01045
   D253      -0.00970   0.00000   0.00046  -0.00041   0.00005  -0.00965
   D254       3.12993  -0.00003  -0.00131  -0.00062  -0.00193   3.12800
   D255       3.13649   0.00004   0.00117   0.00012   0.00129   3.13778
   D256      -0.00706   0.00001  -0.00060  -0.00010  -0.00070  -0.00776
   D257      -0.00566  -0.00001  -0.00107  -0.00032  -0.00139  -0.00705
   D258       3.12602  -0.00003  -0.00066  -0.00048  -0.00114   3.12487
   D259       3.13788   0.00002   0.00069  -0.00011   0.00058   3.13847
   D260      -0.01363   0.00000   0.00111  -0.00027   0.00084  -0.01279
   D261      -0.00685  -0.00001  -0.00114  -0.00042  -0.00157  -0.00842
   D262       3.13795   0.00002   0.00083  -0.00002   0.00081   3.13876
   D263       3.12634  -0.00004  -0.00122  -0.00068  -0.00190   3.12444
   D264      -0.01204  -0.00001   0.00075  -0.00028   0.00047  -0.01157
   D265      -0.00902  -0.00000   0.00002  -0.00031  -0.00029  -0.00931
   D266       3.13787   0.00004   0.00129   0.00012   0.00141   3.13928
   D267       3.12935  -0.00004  -0.00195  -0.00072  -0.00267   3.12668
   D268      -0.00694   0.00000  -0.00069  -0.00029  -0.00098  -0.00792
   D269       0.00794   0.00002   0.00073   0.00070   0.00142   0.00936
   D270      -3.12613   0.00001   0.00108   0.00048   0.00156  -3.12457
   D271      -3.13896  -0.00002  -0.00054   0.00027  -0.00027  -3.13924
   D272       0.01014  -0.00004  -0.00018   0.00005  -0.00013   0.01001
   D273       0.01100   0.00001   0.00055   0.00040   0.00094   0.01194
   D274      -3.13870  -0.00002  -0.00017   0.00021   0.00004  -3.13866
   D275      -3.12212  -0.00001   0.00052   0.00015   0.00068  -3.12144
   D276       0.01137  -0.00004  -0.00020  -0.00003  -0.00023   0.01114
   D277      -0.01043   0.00001   0.00043  -0.00004   0.00039  -0.01004
   D278       3.12567  -0.00002  -0.00144  -0.00023  -0.00167   3.12400
   D279       3.13925   0.00004   0.00116   0.00014   0.00130   3.14055
   D280      -0.00784   0.00001  -0.00072  -0.00004  -0.00076  -0.00860
   D281      -0.01128  -0.00001  -0.00112  -0.00020  -0.00132  -0.01261
   D282       3.11876  -0.00001  -0.00083  -0.00000  -0.00083   3.11792
   D283       3.13577   0.00002   0.00075  -0.00002   0.00073   3.13650
   D284      -0.01737   0.00001   0.00104   0.00018   0.00122  -0.01615
   D285      -0.00407  -0.00001  -0.00131  -0.00006  -0.00137  -0.00544
   D286       3.13907   0.00002   0.00042   0.00007   0.00049   3.13956
   D287       3.12797  -0.00003  -0.00077  -0.00010  -0.00088   3.12710
   D288      -0.01207   0.00000   0.00096   0.00003   0.00098  -0.01108
   D289      -0.01092   0.00000   0.00050  -0.00009   0.00041  -0.01051
   D290       3.13571   0.00004   0.00143   0.00014   0.00157   3.13728
   D291       3.12912  -0.00003  -0.00123  -0.00022  -0.00146   3.12766
   D292      -0.00744   0.00001  -0.00030   0.00000  -0.00030  -0.00774
   D293       0.00812   0.00002   0.00061   0.00038   0.00098   0.00910
   D294      -3.12535  -0.00000   0.00058   0.00013   0.00071  -3.12464
   D295      -3.13853  -0.00002  -0.00033   0.00015  -0.00018  -3.13870
   D296       0.01119  -0.00004  -0.00035  -0.00010  -0.00045   0.01074
         Item               Value     Threshold  Converged?
 Maximum Force            0.002891     0.000450     NO 
 RMS     Force            0.000255     0.000300     YES
 Maximum Displacement     0.158478     0.001800     NO 
 RMS     Displacement     0.032879     0.001200     NO 
 Predicted change in Energy=-1.355636D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.037866    2.960628    0.102095
      2          6           0       -2.308944    1.595593    0.040110
      3          6           0       -1.276191    0.641260    0.006012
      4          6           0        0.059838    1.102178    0.014826
      5          6           0        0.324722    2.484540    0.064428
      6          6           0       -0.702035    3.405946    0.116084
      7          6           0       -1.548634   -0.804661   -0.076150
      8          6           0       -0.477355   -1.743341   -0.115981
      9          6           0        0.889445   -1.264203   -0.035204
     10          6           0        1.167558    0.151670   -0.012119
     11          6           0       -2.863270   -1.291152   -0.117173
     12          6           0       -3.140760   -2.654158   -0.229369
     13          6           0       -2.075644   -3.569290   -0.305062
     14          6           0       -0.771807   -3.120073   -0.243970
     15          7           0        1.942831   -2.100027    0.007487
     16          6           0        3.226339   -1.643520    0.026461
     17          6           0        3.445721   -0.235130    0.005345
     18          7           0        2.404206    0.627350   -0.000158
     19          6           0        4.326191   -2.535306    0.069466
     20          6           0        5.599675   -2.020454    0.072350
     21          6           0        5.838771   -0.613144    0.019517
     22          6           0        4.770055    0.262985   -0.013801
     23          7           0       -3.097360    3.892842    0.153366
     24          7           0       -4.473536   -3.104826   -0.272279
     25          7           0        7.164554   -0.139336    0.031043
     26          6           0       -5.004714   -4.171481    0.478737
     27          6           0       -6.377772   -4.310136    0.165997
     28          6           0       -6.695496   -3.294886   -0.816764
     29          6           0       -5.506078   -2.568324   -1.064170
     30          6           0       -3.229739    5.030989   -0.659927
     31          6           0       -4.418654    5.712562   -0.303575
     32          6           0       -5.032158    4.961176    0.771371
     33          6           0       -4.197477    3.846431    1.027509
     34          6           0        7.673862    0.880688    0.857303
     35          6           0        9.051252    1.047997    0.577453
     36          6           0        9.392555    0.102240   -0.464899
     37          6           0        8.212393   -0.612524   -0.780044
     38          6           0       -7.864822   -2.964008   -1.509506
     39          6           0       -7.831891   -1.929057   -2.439441
     40          6           0       -6.638766   -1.233811   -2.691108
     41          6           0       -5.460816   -1.545012   -2.014241
     42          6           0       -4.389596   -4.973911    1.442853
     43          6           0       -5.167437   -5.947387    2.066937
     44          6           0       -6.525528   -6.112722    1.751815
     45          6           0       -7.137720   -5.293912    0.807913
     46          6           0       -6.189804    5.147579    1.534980
     47          6           0       -6.492626    4.234470    2.540238
     48          6           0       -5.643792    3.145318    2.794993
     49          6           0       -4.485593    2.937455    2.048711
     50          6           0       -2.419749    5.473888   -1.708675
     51          6           0       -2.802693    6.633991   -2.378999
     52          6           0       -3.967549    7.333182   -2.024186
     53          6           0       -4.781433    6.875067   -0.992626
     54          6           0       10.575205   -0.176057   -1.158206
     55          6           0       10.563230   -1.147377   -2.154828
     56          6           0        9.378537   -1.830177   -2.472338
     57          6           0        8.187113   -1.569176   -1.797896
     58          6           0        7.037100    1.618830    1.857401
     59          6           0        7.797729    2.552442    2.558891
     60          6           0        9.159921    2.744879    2.279493
     61          6           0        9.793031    1.992681    1.294746
     62          1           0       -3.346331    1.292483   -0.002073
     63          1           0        1.358531    2.806972    0.081467
     64          1           0       -0.490992    4.466730    0.188995
     65          1           0       -3.701224   -0.612568   -0.039659
     66          1           0       -2.276986   -4.626498   -0.431632
     67          1           0        0.027973   -3.853203   -0.289094
     68          1           0        1.850458   -3.231907    0.148445
     69          1           0        4.134544   -3.602344    0.127118
     70          1           0        6.449550   -2.689985    0.139308
     71          1           0        4.913561    1.335017   -0.068451
     72          1           0       -8.783959   -3.513638   -1.329049
     73          1           0       -8.733608   -1.660893   -2.981032
     74          1           0       -6.628005   -0.439806   -3.431543
     75          1           0       -4.541612   -1.013788   -2.232672
     76          1           0       -3.346200   -4.848778    1.707576
     77          1           0       -4.709558   -6.587119    2.815036
     78          1           0       -7.102723   -6.882786    2.254020
     79          1           0       -8.192385   -5.411427    0.576877
     80          1           0       -6.839437    5.997871    1.349131
     81          1           0       -7.389473    4.366489    3.137340
     82          1           0       -5.890101    2.450379    3.591983
     83          1           0       -3.830073    2.101611    2.264927
     84          1           0       -1.526759    4.933661   -2.001733
     85          1           0       -2.187723    6.999365   -3.195856
     86          1           0       -4.237341    8.235107   -2.564657
     87          1           0       -5.690359    7.408347   -0.729897
     88          1           0       11.488147    0.364529   -0.926442
     89          1           0       11.475089   -1.374422   -2.698160
     90          1           0        9.384610   -2.573055   -3.263992
     91          1           0        7.275036   -2.088695   -2.068745
     92          1           0        5.989511    1.470904    2.092389
     93          1           0        7.323606    3.139341    3.339627
     94          1           0        9.723784    3.482982    2.841234
     95          1           0       10.850530    2.131012    1.089883
     96         17           0        1.975297   -4.965738    0.481791
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462446           0.0189794           0.0145289
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7847.8537701637 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.53D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999999    0.001546    0.000020   -0.000415 Ang=   0.18 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58761459     A.U. after   12 cycles
            NFock= 12  Conv=0.36D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000224146   -0.000016224    0.000084788
      2        6          -0.000181729   -0.000046234   -0.000129677
      3        6          -0.000528029   -0.000958946   -0.000017256
      4        6           0.000957152    0.000453122    0.000051538
      5        6           0.000091382   -0.000519096   -0.000006037
      6        6          -0.000224300    0.000311410    0.000099439
      7        6          -0.000697848    0.001048832   -0.000249525
      8        6           0.000886709   -0.000757077    0.000174623
      9        6           0.000449136   -0.000172910   -0.000793658
     10        6          -0.000263107    0.000609899   -0.000023962
     11        6          -0.000113592   -0.000141248   -0.000004740
     12        6           0.000376382    0.000441694   -0.000116336
     13        6           0.000066903   -0.000398559    0.000009558
     14        6          -0.000349266    0.000472946    0.000728080
     15        7          -0.001631603   -0.002827453    0.000927391
     16        6           0.000697750   -0.001165465    0.000131941
     17        6          -0.000680300    0.000674527   -0.000069023
     18        7           0.000436387    0.000176317    0.000019528
     19        6           0.000278074   -0.000173211    0.000015118
     20        6           0.000076474    0.000114110    0.000083774
     21        6          -0.000585039   -0.000231922    0.000040628
     22        6           0.000269597    0.000202374   -0.000064142
     23        7          -0.000725580    0.000271339    0.000068810
     24        7          -0.001079256   -0.000687867   -0.000132675
     25        7           0.001040370    0.000697127    0.000077359
     26        6           0.000681197    0.001000475    0.000076615
     27        6          -0.000535115   -0.000446765    0.000197615
     28        6          -0.000583231   -0.000258757   -0.000281002
     29        6           0.001196052    0.000144302    0.000150368
     30        6           0.000567209   -0.000689356   -0.000108940
     31        6          -0.000449962    0.000429125   -0.000203350
     32        6          -0.000605708    0.000167255    0.000240691
     33        6           0.000957277   -0.000124972    0.000025970
     34        6          -0.000560948   -0.000970683   -0.000112982
     35        6           0.000497458    0.000427957    0.000274368
     36        6           0.000556083    0.000244886   -0.000199088
     37        6          -0.001000396   -0.000067789   -0.000113410
     38        6          -0.000042753    0.000024325   -0.000068078
     39        6          -0.000359237   -0.000077541    0.000013708
     40        6           0.000114923   -0.000027936   -0.000011798
     41        6          -0.000072320    0.000346505   -0.000061384
     42        6           0.000176560   -0.000276536    0.000034768
     43        6           0.000069481    0.000135178    0.000015485
     44        6          -0.000202011   -0.000285103   -0.000040033
     45        6          -0.000009155   -0.000004388    0.000034796
     46        6          -0.000024493    0.000023024    0.000052285
     47        6          -0.000345094    0.000036997    0.000025178
     48        6           0.000066349    0.000037452    0.000009952
     49        6           0.000039185   -0.000247061    0.000055212
     50        6           0.000274592    0.000159683   -0.000075215
     51        6           0.000023698   -0.000104598   -0.000000144
     52        6          -0.000233834    0.000264877    0.000000008
     53        6          -0.000046332    0.000007881   -0.000059129
     54        6           0.000042898   -0.000003847   -0.000066060
     55        6           0.000356700    0.000077058    0.000022978
     56        6          -0.000124493    0.000012141   -0.000007118
     57        6           0.000013140   -0.000337758   -0.000075498
     58        6          -0.000311175    0.000139396    0.000093436
     59        6          -0.000023291   -0.000091730    0.000006723
     60        6           0.000202915    0.000276029    0.000030092
     61        6           0.000006778    0.000019833    0.000052999
     62        1           0.000092894   -0.000112412   -0.000068034
     63        1           0.000052219    0.000087336    0.000038975
     64        1           0.000131824   -0.000020976   -0.000017293
     65        1           0.000032138    0.000049863    0.000082712
     66        1           0.000121178    0.000017152    0.000052788
     67        1          -0.000180461   -0.000129426   -0.000274557
     68        1           0.000040162    0.002778712   -0.000183180
     69        1          -0.000129624   -0.000083641   -0.000091822
     70        1          -0.000000893   -0.000043061    0.000003113
     71        1          -0.000019099   -0.000026955   -0.000005037
     72        1           0.000032585   -0.000032965    0.000072552
     73        1           0.000052303    0.000002175   -0.000040534
     74        1           0.000049778    0.000065426    0.000013148
     75        1          -0.000068584   -0.000043944   -0.000101216
     76        1          -0.000011590   -0.000026223    0.000029555
     77        1           0.000071111    0.000008501   -0.000004180
     78        1           0.000016043    0.000051483    0.000052825
     79        1          -0.000008150    0.000048206   -0.000081678
     80        1           0.000034394    0.000033262   -0.000087697
     81        1           0.000050865   -0.000002080    0.000034430
     82        1           0.000062600   -0.000067207   -0.000010536
     83        1          -0.000036328    0.000011677    0.000081686
     84        1          -0.000033932    0.000034926   -0.000078693
     85        1           0.000090684   -0.000012563    0.000004017
     86        1           0.000031392   -0.000036706   -0.000034926
     87        1          -0.000003078   -0.000050091    0.000084292
     88        1          -0.000033876    0.000023795    0.000075924
     89        1          -0.000048855   -0.000002536   -0.000042859
     90        1          -0.000040918   -0.000066992    0.000000860
     91        1           0.000046827   -0.000002593   -0.000028885
     92        1           0.000044568    0.000014941    0.000058006
     93        1          -0.000073976   -0.000009097   -0.000002454
     94        1          -0.000022980   -0.000041452    0.000032280
     95        1           0.000013725   -0.000034067   -0.000071509
     96       17           0.000541298    0.000280491   -0.000327633
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002827453 RMS     0.000406451

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001841594 RMS     0.000199158
 Search for a local minimum.
 Step number  15 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15
 DE= -2.20D-04 DEPred=-1.36D-04 R= 1.62D+00
 TightC=F SS=  1.41D+00  RLast= 1.71D-01 DXNew= 5.0454D+00 5.1191D-01
 Trust test= 1.62D+00 RLast= 1.71D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00502   0.01326   0.02310   0.02707   0.02709
     Eigenvalues ---    0.02726   0.02733   0.02745   0.02747   0.02751
     Eigenvalues ---    0.02756   0.02770   0.02772   0.02781   0.02784
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02793   0.02794
     Eigenvalues ---    0.02797   0.02815   0.02816   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02826   0.02832
     Eigenvalues ---    0.02834   0.02838   0.02840   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02847   0.02847   0.02854
     Eigenvalues ---    0.02857   0.02863   0.02866   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02872   0.02872   0.02876
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02883   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02897   0.02897   0.02898   0.02899
     Eigenvalues ---    0.02900   0.02903   0.02905   0.02909   0.02910
     Eigenvalues ---    0.02911   0.02934   0.02938   0.02942   0.02945
     Eigenvalues ---    0.02980   0.03021   0.03026   0.03064   0.03104
     Eigenvalues ---    0.03126   0.03128   0.03135   0.03142   0.03204
     Eigenvalues ---    0.03313   0.03549   0.04225   0.05470   0.11594
     Eigenvalues ---    0.14984   0.15919   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16019   0.16043
     Eigenvalues ---    0.16067   0.16120   0.16159   0.19589   0.21616
     Eigenvalues ---    0.21999   0.21999   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22114   0.22396   0.22446   0.22479   0.22599
     Eigenvalues ---    0.22600   0.22601   0.22604   0.22641   0.22715
     Eigenvalues ---    0.23500   0.23507   0.23571   0.23995   0.24427
     Eigenvalues ---    0.24470   0.24474   0.24505   0.24515   0.24561
     Eigenvalues ---    0.24645   0.24673   0.24893   0.24960   0.24962
     Eigenvalues ---    0.24965   0.24969   0.24973   0.24989   0.24994
     Eigenvalues ---    0.24995   0.25002   0.25004   0.25010   0.25052
     Eigenvalues ---    0.25225   0.25597   0.26851   0.30422   0.32308
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33286   0.33314   0.33383   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33400   0.33456   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33697
     Eigenvalues ---    0.33845   0.33862   0.33879   0.33889   0.33905
     Eigenvalues ---    0.33909   0.33937   0.33958   0.34002   0.34334
     Eigenvalues ---    0.34677   0.34799   0.35958   0.44448   0.44465
     Eigenvalues ---    0.44790   0.45426   0.47536   0.48317   0.48826
     Eigenvalues ---    0.48951   0.48968   0.49636   0.49717   0.50191
     Eigenvalues ---    0.50286   0.50368   0.50393   0.50591   0.50608
     Eigenvalues ---    0.50683   0.51426   0.52792   0.53286   0.53376
     Eigenvalues ---    0.54076   0.54100   0.54193   0.54199   0.54210
     Eigenvalues ---    0.54637   0.54895   0.55041   0.55294   0.55499
     Eigenvalues ---    0.55637   0.55724   0.55902   0.55924   0.55944
     Eigenvalues ---    0.56104   0.56126   0.56132   0.56147   0.56224
     Eigenvalues ---    0.56342   0.56640   0.56664   0.56665   0.56668
     Eigenvalues ---    0.56680   0.56698   0.56714   0.56815   0.56905
     Eigenvalues ---    0.56915   0.57071   0.57160   0.57162   0.57166
     Eigenvalues ---    0.57173   0.57178   0.57918   0.58966   0.60732
     Eigenvalues ---    0.62409   0.64614   0.65978   0.66082   0.67593
     Eigenvalues ---    0.67707   0.68008   0.69745   0.69917   0.71211
     Eigenvalues ---    0.73845   0.76439
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    15   14   13   12   11   10
 RFO step:  Lambda=-1.51521063D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.35663    0.67610   -1.40340    0.37814    0.04653
                  RFO-DIIS coefs:   -0.05399
 Iteration  1 RMS(Cart)=  0.01481910 RMS(Int)=  0.00010889
 Iteration  2 RMS(Cart)=  0.00016444 RMS(Int)=  0.00006382
 Iteration  3 RMS(Cart)=  0.00000009 RMS(Int)=  0.00006382
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63252   0.00026   0.00110  -0.00030   0.00079   2.63331
    R2        2.66106   0.00016   0.00202  -0.00079   0.00124   2.66230
    R3        2.66858   0.00034  -0.00199   0.00076  -0.00122   2.66736
    R4        2.65807   0.00009   0.00031   0.00001   0.00032   2.65838
    R5        2.04390  -0.00002   0.00010  -0.00021  -0.00011   2.04379
    R6        2.67080   0.00069  -0.00004   0.00089   0.00082   2.67162
    R7        2.78481  -0.00054  -0.00039  -0.00046  -0.00087   2.78393
    R8        2.66146  -0.00025   0.00038  -0.00044  -0.00007   2.66139
    R9        2.75876  -0.00032   0.00003  -0.00037  -0.00035   2.75842
   R10        2.60884   0.00026  -0.00011   0.00028   0.00017   2.60901
   R11        2.04668   0.00009   0.00010  -0.00003   0.00007   2.04675
   R12        2.04852  -0.00003   0.00004  -0.00016  -0.00012   2.04839
   R13        2.69267   0.00088   0.00134   0.00078   0.00212   2.69479
   R14        2.65008   0.00017  -0.00004  -0.00003  -0.00006   2.65002
   R15        2.74124   0.00041  -0.00115  -0.00017  -0.00129   2.73994
   R16        2.67146  -0.00015   0.00158  -0.00089   0.00069   2.67215
   R17        2.72709   0.00079   0.00224   0.00008   0.00234   2.72943
   R18        2.54240  -0.00006   0.00280  -0.00125   0.00161   2.54401
   R19        2.50395   0.00028  -0.00020   0.00026   0.00002   2.50396
   R20        2.63708   0.00004   0.00130  -0.00038   0.00092   2.63801
   R21        2.04287  -0.00000   0.00032  -0.00027   0.00005   2.04292
   R22        2.65751   0.00014   0.00010   0.00009   0.00019   2.65770
   R23        2.65991   0.00062  -0.00142   0.00102  -0.00040   2.65951
   R24        2.60859   0.00006   0.00017  -0.00001   0.00017   2.60875
   R25        2.04776  -0.00002   0.00053  -0.00044   0.00010   2.04786
   R26        2.05204  -0.00008  -0.00037   0.00149   0.00112   2.05316
   R27        2.57458   0.00037   0.00034  -0.00004   0.00035   2.57493
   R28        2.16252  -0.00184  -0.02374  -0.00470  -0.02784   2.13468
   R29        5.48942  -0.00111   0.01685  -0.00389   0.01236   5.50178
   R30        2.69386   0.00064  -0.00101   0.00093  -0.00009   2.69377
   R31        2.67702   0.00019   0.00100  -0.00039   0.00062   2.67764
   R32        2.55544  -0.00035  -0.00039   0.00006  -0.00039   2.55505
   R33        2.67404   0.00030  -0.00033   0.00037   0.00004   2.67409
   R34        2.59577   0.00015   0.00075  -0.00032   0.00043   2.59620
   R35        2.05157   0.00008   0.00040   0.00039   0.00079   2.05236
   R36        2.69939   0.00014   0.00095  -0.00022   0.00072   2.70011
   R37        2.04845   0.00002   0.00042  -0.00026   0.00015   2.04860
   R38        2.61224   0.00006   0.00151  -0.00060   0.00091   2.61315
   R39        2.66064   0.00065  -0.00214   0.00120  -0.00094   2.65970
   R40        2.04653  -0.00002   0.00014  -0.00020  -0.00007   2.04646
   R41        2.65528  -0.00008   0.00012  -0.00039  -0.00027   2.65501
   R42        2.65675  -0.00015  -0.00014  -0.00019  -0.00033   2.65643
   R43        2.66172  -0.00029  -0.00036  -0.00034  -0.00070   2.66102
   R44        2.65980  -0.00026  -0.00117  -0.00023  -0.00140   2.65839
   R45        2.66079  -0.00032  -0.00002  -0.00056  -0.00058   2.66021
   R46        2.65890  -0.00021  -0.00019  -0.00033  -0.00052   2.65838
   R47        2.67403   0.00065   0.00072   0.00043   0.00114   2.67517
   R48        2.64006   0.00023   0.00081  -0.00015   0.00066   2.64072
   R49        2.73684   0.00027  -0.00018   0.00040   0.00021   2.73706
   R50        2.64386   0.00002   0.00065  -0.00024   0.00040   2.64426
   R51        2.67503   0.00066   0.00080   0.00040   0.00120   2.67623
   R52        2.64339   0.00006   0.00060  -0.00022   0.00037   2.64376
   R53        2.64011   0.00031   0.00083  -0.00009   0.00074   2.64085
   R54        2.67585   0.00060   0.00089   0.00018   0.00107   2.67692
   R55        2.64029   0.00026   0.00140  -0.00046   0.00094   2.64123
   R56        2.73617   0.00035  -0.00041   0.00055   0.00014   2.73631
   R57        2.64414   0.00004   0.00057  -0.00025   0.00033   2.64447
   R58        2.67579   0.00063   0.00053   0.00046   0.00099   2.67678
   R59        2.64426   0.00004   0.00056  -0.00023   0.00033   2.64459
   R60        2.64028   0.00021   0.00094  -0.00020   0.00073   2.64101
   R61        2.67482   0.00064   0.00069   0.00036   0.00105   2.67587
   R62        2.63921   0.00027   0.00084  -0.00016   0.00067   2.63988
   R63        2.73681   0.00036  -0.00025   0.00055   0.00031   2.73711
   R64        2.64371   0.00006   0.00060  -0.00022   0.00038   2.64409
   R65        2.67447   0.00061   0.00062   0.00038   0.00100   2.67547
   R66        2.64345   0.00007   0.00057  -0.00019   0.00038   2.64382
   R67        2.64011   0.00024   0.00091  -0.00021   0.00070   2.64081
   R68        2.63004   0.00005   0.00036  -0.00019   0.00018   2.63022
   R69        2.05231   0.00001  -0.00011   0.00005  -0.00007   2.05224
   R70        2.65253   0.00026   0.00111  -0.00027   0.00084   2.65337
   R71        2.05131  -0.00002  -0.00001  -0.00008  -0.00009   2.05122
   R72        2.63382   0.00008  -0.00005  -0.00000  -0.00005   2.63377
   R73        2.05173   0.00003  -0.00004   0.00002  -0.00002   2.05171
   R74        2.04828  -0.00006   0.00023  -0.00024  -0.00001   2.04827
   R75        2.63356   0.00004  -0.00009   0.00000  -0.00008   2.63347
   R76        2.04790  -0.00001   0.00032  -0.00038  -0.00006   2.04784
   R77        2.65306   0.00026   0.00113  -0.00030   0.00083   2.65389
   R78        2.05152   0.00003  -0.00006   0.00005  -0.00001   2.05150
   R79        2.62949   0.00009   0.00028  -0.00013   0.00015   2.62964
   R80        2.05134  -0.00003  -0.00003  -0.00006  -0.00009   2.05125
   R81        2.05234   0.00001  -0.00008   0.00002  -0.00007   2.05227
   R82        2.62938   0.00010   0.00025  -0.00010   0.00015   2.62953
   R83        2.05239   0.00001  -0.00012   0.00005  -0.00007   2.05231
   R84        2.65348   0.00026   0.00103  -0.00024   0.00079   2.65427
   R85        2.05128  -0.00002  -0.00003  -0.00007  -0.00009   2.05119
   R86        2.63315   0.00010  -0.00005   0.00006   0.00000   2.63315
   R87        2.05173   0.00003  -0.00005   0.00003  -0.00001   2.05171
   R88        2.04849  -0.00002   0.00015  -0.00019  -0.00004   2.04846
   R89        2.63332   0.00007  -0.00005   0.00002  -0.00003   2.63328
   R90        2.04855  -0.00002  -0.00018   0.00004  -0.00014   2.04841
   R91        2.65347   0.00028   0.00091  -0.00015   0.00076   2.65422
   R92        2.05185   0.00004  -0.00007   0.00006  -0.00001   2.05183
   R93        2.62964   0.00010   0.00015  -0.00002   0.00012   2.62976
   R94        2.05135  -0.00002  -0.00003  -0.00006  -0.00009   2.05125
   R95        2.05239   0.00001  -0.00010   0.00002  -0.00007   2.05231
   R96        2.62995   0.00010   0.00037  -0.00015   0.00022   2.63018
   R97        2.05226   0.00001  -0.00012   0.00005  -0.00007   2.05219
   R98        2.65271   0.00029   0.00103  -0.00020   0.00083   2.65354
   R99        2.05124  -0.00002  -0.00001  -0.00007  -0.00008   2.05116
   R100       2.63377   0.00007  -0.00002   0.00000  -0.00002   2.63375
   R101       2.05157   0.00004  -0.00004   0.00003  -0.00001   2.05156
   R102       2.04854  -0.00002   0.00010  -0.00014  -0.00004   2.04850
   R103       2.63363   0.00010   0.00006   0.00001   0.00007   2.63370
   R104       2.04802  -0.00004   0.00003  -0.00007  -0.00005   2.04797
   R105       2.65280   0.00027   0.00100  -0.00023   0.00078   2.65358
   R106       2.05172   0.00004  -0.00004   0.00004   0.00000   2.05172
   R107       2.62961   0.00010   0.00037  -0.00012   0.00024   2.62985
   R108       2.05128  -0.00002  -0.00002  -0.00007  -0.00008   2.05120
   R109       2.05225   0.00001  -0.00010   0.00004  -0.00006   2.05219
   R110       3.34480   0.00092   0.03870   0.00141   0.04072   3.38552
    A1        2.08853  -0.00002  -0.00162   0.00041  -0.00121   2.08732
    A2        2.09725   0.00002   0.00020   0.00025   0.00046   2.09771
    A3        2.09740   0.00000   0.00141  -0.00067   0.00075   2.09815
    A4        2.12119   0.00000   0.00076  -0.00002   0.00073   2.12192
    A5        2.05215   0.00015   0.00036   0.00008   0.00045   2.05260
    A6        2.10963  -0.00015  -0.00114  -0.00005  -0.00119   2.10844
    A7        2.06309  -0.00003   0.00018  -0.00015   0.00003   2.06312
    A8        2.13095  -0.00005  -0.00018   0.00017   0.00001   2.13096
    A9        2.08874   0.00008  -0.00006   0.00002  -0.00007   2.08867
   A10        2.09221  -0.00008  -0.00005  -0.00037  -0.00042   2.09179
   A11        2.09998   0.00011   0.00011   0.00010   0.00021   2.10019
   A12        2.09094  -0.00003  -0.00010   0.00028   0.00020   2.09113
   A13        2.11359   0.00013   0.00004   0.00040   0.00043   2.11402
   A14        2.06268  -0.00001   0.00117  -0.00037   0.00081   2.06348
   A15        2.10672  -0.00012  -0.00123  -0.00003  -0.00125   2.10547
   A16        2.08759  -0.00001   0.00077  -0.00029   0.00047   2.08806
   A17        2.08841   0.00014   0.00166  -0.00030   0.00136   2.08977
   A18        2.10695  -0.00013  -0.00247   0.00062  -0.00186   2.10510
   A19        2.10474   0.00006   0.00041   0.00003   0.00043   2.10517
   A20        2.11218  -0.00006  -0.00017   0.00040   0.00023   2.11240
   A21        2.06627   0.00000  -0.00024  -0.00043  -0.00066   2.06561
   A22        2.08202  -0.00013  -0.00069  -0.00014  -0.00079   2.08123
   A23        2.08001  -0.00036  -0.00079   0.00044  -0.00036   2.07965
   A24        2.12113   0.00049   0.00148  -0.00030   0.00115   2.12228
   A25        2.10197  -0.00009   0.00027   0.00049   0.00074   2.10271
   A26        2.13447   0.00040   0.00403  -0.00143   0.00248   2.13696
   A27        2.04669  -0.00031  -0.00432   0.00096  -0.00326   2.04343
   A28        2.08617  -0.00002  -0.00060  -0.00014  -0.00072   2.08546
   A29        2.06492  -0.00021  -0.00107   0.00099  -0.00011   2.06481
   A30        2.13202   0.00023   0.00168  -0.00087   0.00083   2.13285
   A31        2.12656   0.00007   0.00116  -0.00013   0.00103   2.12759
   A32        2.10225  -0.00010  -0.00010  -0.00020  -0.00032   2.10193
   A33        2.05413   0.00003  -0.00094   0.00029  -0.00067   2.05346
   A34        2.08210  -0.00003  -0.00113   0.00053  -0.00059   2.08151
   A35        2.09839   0.00004   0.00009  -0.00044  -0.00035   2.09805
   A36        2.10268  -0.00001   0.00103  -0.00009   0.00095   2.10363
   A37        2.09582  -0.00003   0.00060  -0.00035   0.00025   2.09607
   A38        2.09490   0.00014   0.00136   0.00019   0.00155   2.09644
   A39        2.09227  -0.00011  -0.00197   0.00013  -0.00183   2.09043
   A40        2.11491   0.00035   0.00042   0.00002   0.00045   2.11536
   A41        2.10349   0.00006   0.00054   0.00010   0.00065   2.10413
   A42        2.06476  -0.00041  -0.00097  -0.00011  -0.00108   2.06368
   A43        2.12928   0.00013   0.00257   0.00034   0.00264   2.13192
   A44        2.15939   0.00056  -0.00569   0.00353  -0.00192   2.15746
   A45        2.24825   0.00144  -0.00003   0.00498   0.00421   2.25246
   A46        1.98860  -0.00068   0.00412  -0.00294   0.00122   1.98982
   A47        1.89416  -0.00149   0.00165  -0.00428  -0.00324   1.89092
   A48        2.06669  -0.00001  -0.00001  -0.00094  -0.00084   2.06585
   A49        2.11872   0.00002  -0.00146   0.00047  -0.00106   2.11767
   A50        2.09776  -0.00001   0.00146   0.00047   0.00190   2.09966
   A51        2.10791   0.00003  -0.00069   0.00050  -0.00019   2.10773
   A52        2.08520  -0.00010  -0.00034  -0.00059  -0.00092   2.08428
   A53        2.09007   0.00006   0.00103   0.00009   0.00111   2.09118
   A54        2.08276  -0.00007   0.00086   0.00005   0.00086   2.08362
   A55        2.07591  -0.00005  -0.00152  -0.00023  -0.00173   2.07418
   A56        2.07520  -0.00012  -0.00176  -0.00000  -0.00178   2.07342
   A57        2.13168   0.00016   0.00323   0.00030   0.00352   2.13521
   A58        2.12277   0.00009   0.00067   0.00002   0.00069   2.12346
   A59        2.08920  -0.00008  -0.00135   0.00028  -0.00107   2.08813
   A60        2.07096  -0.00000   0.00065  -0.00028   0.00037   2.07133
   A61        2.08967   0.00008  -0.00068   0.00053  -0.00016   2.08951
   A62        2.08157  -0.00009   0.00040  -0.00030   0.00010   2.08167
   A63        2.11170   0.00001   0.00028  -0.00022   0.00007   2.11177
   A64        2.09454  -0.00001   0.00025  -0.00011   0.00014   2.09468
   A65        2.06367  -0.00002   0.00039  -0.00017   0.00022   2.06389
   A66        2.12488   0.00003  -0.00062   0.00027  -0.00035   2.12454
   A67        2.19492  -0.00017   0.00085  -0.00101  -0.00016   2.19475
   A68        2.19922  -0.00005  -0.00118   0.00082  -0.00036   2.19886
   A69        1.88905   0.00022   0.00033   0.00019   0.00052   1.88957
   A70        2.19357  -0.00016  -0.00046   0.00013  -0.00033   2.19325
   A71        2.20152  -0.00008  -0.00025  -0.00023  -0.00048   2.20104
   A72        1.88808   0.00024   0.00071   0.00010   0.00080   1.88889
   A73        2.20086  -0.00012   0.00036  -0.00043  -0.00007   2.20080
   A74        2.19366  -0.00013  -0.00062   0.00012  -0.00049   2.19317
   A75        1.88865   0.00025   0.00025   0.00031   0.00056   1.88921
   A76        1.89895   0.00002  -0.00043   0.00016  -0.00027   1.89868
   A77        2.26124   0.00020   0.00070   0.00031   0.00101   2.26225
   A78        2.12172  -0.00022  -0.00028  -0.00039  -0.00067   2.12105
   A79        1.86937  -0.00014   0.00002  -0.00021  -0.00019   1.86918
   A80        2.08813   0.00010   0.00040   0.00002   0.00042   2.08855
   A81        2.32554   0.00004  -0.00046   0.00021  -0.00025   2.32528
   A82        1.86928  -0.00014  -0.00018  -0.00016  -0.00034   1.86894
   A83        2.32575   0.00002  -0.00018   0.00010  -0.00008   2.32567
   A84        2.08797   0.00013   0.00032   0.00007   0.00039   2.08837
   A85        1.89909   0.00001  -0.00012   0.00011  -0.00001   1.89908
   A86        2.26273   0.00025   0.00042   0.00026   0.00068   2.26342
   A87        2.12002  -0.00026  -0.00027  -0.00034  -0.00060   2.11942
   A88        1.90004   0.00000  -0.00038   0.00020  -0.00018   1.89986
   A89        2.26089   0.00017   0.00184  -0.00056   0.00129   2.26218
   A90        2.12126  -0.00017  -0.00158   0.00042  -0.00116   2.12010
   A91        1.86796  -0.00011   0.00009  -0.00021  -0.00012   1.86784
   A92        2.08710   0.00009   0.00114  -0.00029   0.00085   2.08795
   A93        2.32800   0.00002  -0.00127   0.00051  -0.00077   2.32723
   A94        1.86823  -0.00010   0.00010  -0.00014  -0.00004   1.86819
   A95        2.32754   0.00001  -0.00101   0.00026  -0.00075   2.32678
   A96        2.08730   0.00009   0.00087  -0.00011   0.00076   2.08806
   A97        1.89949   0.00000  -0.00015  -0.00003  -0.00018   1.89931
   A98        2.26178   0.00018   0.00104   0.00010   0.00114   2.26292
   A99        2.12097  -0.00018  -0.00098  -0.00002  -0.00100   2.11997
   A100       1.89821   0.00004  -0.00024   0.00013  -0.00011   1.89811
   A101       2.26293   0.00013   0.00091  -0.00018   0.00074   2.26367
   A102       2.12090  -0.00017  -0.00072   0.00010  -0.00062   2.12028
   A103       1.86966  -0.00016   0.00011  -0.00028  -0.00017   1.86949
   A104       2.08796   0.00007   0.00066  -0.00022   0.00044   2.08839
   A105       2.32545   0.00009  -0.00081   0.00052  -0.00029   2.32515
   A106       1.86874  -0.00014  -0.00008  -0.00011  -0.00019   1.86855
   A107       2.32661   0.00008  -0.00064   0.00036  -0.00029   2.32632
   A108       2.08766   0.00006   0.00067  -0.00022   0.00045   2.08811
   A109       1.89948   0.00001  -0.00004  -0.00005  -0.00009   1.89939
   A110       2.26112   0.00013   0.00054   0.00006   0.00060   2.26172
   A111       2.12133  -0.00014  -0.00058   0.00009  -0.00049   2.12084
   A112       2.07947   0.00003  -0.00021   0.00021   0.00000   2.07947
   A113       2.10073  -0.00010   0.00058  -0.00065  -0.00007   2.10066
   A114       2.10295   0.00007  -0.00036   0.00044   0.00008   2.10303
   A115       2.10394  -0.00007  -0.00000  -0.00028  -0.00028   2.10366
   A116       2.09142   0.00008  -0.00051   0.00060   0.00009   2.09151
   A117       2.08780  -0.00000   0.00050  -0.00032   0.00018   2.08798
   A118       2.11850   0.00017   0.00015   0.00028   0.00043   2.11894
   A119       2.08624  -0.00001  -0.00001   0.00003   0.00002   2.08627
   A120       2.07842  -0.00016  -0.00015  -0.00031  -0.00046   2.07796
   A121       2.05603   0.00001   0.00006   0.00004   0.00010   2.05614
   A122       2.12175   0.00008   0.00072  -0.00010   0.00062   2.12237
   A123       2.10533  -0.00010  -0.00076   0.00004  -0.00072   2.10460
   A124       2.05387   0.00002   0.00006   0.00018   0.00023   2.05410
   A125       2.12489   0.00003   0.00065  -0.00025   0.00040   2.12529
   A126       2.10441  -0.00005  -0.00070   0.00007  -0.00062   2.10379
   A127       2.11960   0.00014   0.00012   0.00023   0.00035   2.11995
   A128       2.07694  -0.00013  -0.00011  -0.00018  -0.00029   2.07665
   A129       2.08664  -0.00001  -0.00001  -0.00005  -0.00006   2.08658
   A130       2.10430  -0.00006   0.00008  -0.00034  -0.00026   2.10404
   A131       2.08754  -0.00001   0.00043  -0.00030   0.00013   2.08768
   A132       2.09132   0.00007  -0.00051   0.00064   0.00012   2.09145
   A133       2.07835   0.00002  -0.00033   0.00032  -0.00001   2.07834
   A134       2.10130  -0.00010   0.00055  -0.00066  -0.00012   2.10118
   A135       2.10352   0.00008  -0.00022   0.00035   0.00013   2.10365
   A136       2.07933   0.00002  -0.00025   0.00019  -0.00005   2.07928
   A137       2.10107  -0.00011   0.00039  -0.00064  -0.00025   2.10082
   A138       2.10276   0.00009  -0.00014   0.00045   0.00031   2.10307
   A139       2.10428  -0.00007  -0.00029  -0.00020  -0.00049   2.10380
   A140       2.09141   0.00008  -0.00029   0.00054   0.00024   2.09166
   A141       2.08747  -0.00000   0.00058  -0.00033   0.00024   2.08771
   A142       2.11883   0.00016   0.00026   0.00029   0.00055   2.11938
   A143       2.08577   0.00000   0.00012   0.00003   0.00015   2.08592
   A144       2.07857  -0.00017  -0.00038  -0.00032  -0.00070   2.07787
   A145       2.05535  -0.00002   0.00038  -0.00015   0.00023   2.05558
   A146       2.12084   0.00009   0.00113  -0.00012   0.00101   2.12185
   A147       2.10696  -0.00006  -0.00151   0.00027  -0.00124   2.10571
   A148       2.05518  -0.00004   0.00065  -0.00037   0.00028   2.05546
   A149       2.12058   0.00010   0.00127  -0.00022   0.00105   2.12164
   A150       2.10739  -0.00006  -0.00192   0.00059  -0.00134   2.10605
   A151       2.11878   0.00016   0.00028   0.00029   0.00056   2.11935
   A152       2.07875  -0.00016  -0.00025  -0.00039  -0.00064   2.07811
   A153       2.08564  -0.00000  -0.00003   0.00010   0.00007   2.08571
   A154       2.10434  -0.00007  -0.00028  -0.00018  -0.00046   2.10388
   A155       2.08759  -0.00001   0.00067  -0.00041   0.00026   2.08785
   A156       2.09123   0.00008  -0.00040   0.00060   0.00020   2.09143
   A157       2.07937   0.00001  -0.00022   0.00015  -0.00007   2.07931
   A158       2.10111  -0.00010   0.00057  -0.00072  -0.00015   2.10096
   A159       2.10268   0.00009  -0.00035   0.00057   0.00022   2.10290
   A160       2.07888   0.00002  -0.00036   0.00026  -0.00010   2.07878
   A161       2.10124  -0.00009   0.00056  -0.00064  -0.00008   2.10116
   A162       2.10304   0.00008  -0.00020   0.00038   0.00018   2.10322
   A163       2.10449  -0.00006  -0.00008  -0.00019  -0.00027   2.10422
   A164       2.09117   0.00007  -0.00041   0.00055   0.00013   2.09131
   A165       2.08749  -0.00002   0.00048  -0.00035   0.00013   2.08762
   A166       2.11870   0.00015   0.00024   0.00024   0.00048   2.11918
   A167       2.08639  -0.00001   0.00007  -0.00002   0.00005   2.08644
   A168       2.07807  -0.00014  -0.00032  -0.00021  -0.00053   2.07753
   A169       2.05479  -0.00004   0.00012  -0.00014  -0.00002   2.05477
   A170       2.12400   0.00007   0.00098  -0.00022   0.00077   2.12477
   A171       2.10434  -0.00003  -0.00110   0.00035  -0.00074   2.10359
   A172       2.05518  -0.00003   0.00027  -0.00016   0.00011   2.05529
   A173       2.12215   0.00006   0.00108  -0.00031   0.00077   2.12292
   A174       2.10582  -0.00003  -0.00135   0.00046  -0.00088   2.10494
   A175       2.11912   0.00015   0.00021   0.00021   0.00043   2.11954
   A176       2.07800  -0.00014  -0.00030  -0.00019  -0.00049   2.07752
   A177       2.08606  -0.00001   0.00008  -0.00002   0.00006   2.08612
   A178       2.10393  -0.00005  -0.00018  -0.00015  -0.00033   2.10360
   A179       2.08779  -0.00001   0.00052  -0.00034   0.00018   2.08798
   A180       2.09145   0.00006  -0.00035   0.00049   0.00014   2.09158
   A181       2.07901   0.00002  -0.00024   0.00023  -0.00001   2.07900
   A182       2.10087  -0.00009   0.00041  -0.00057  -0.00016   2.10071
   A183       2.10328   0.00007  -0.00017   0.00034   0.00017   2.10345
    D1        0.01279   0.00001  -0.00025   0.00066   0.00041   0.01320
    D2       -3.10689   0.00003   0.00088  -0.00006   0.00082  -3.10606
    D3       -3.12658  -0.00001   0.00060  -0.00057   0.00004  -3.12654
    D4        0.03693   0.00001   0.00173  -0.00129   0.00045   0.03738
    D5        0.00314  -0.00002  -0.00285   0.00002  -0.00284   0.00030
    D6       -3.11535  -0.00001  -0.00050  -0.00103  -0.00153  -3.11688
    D7       -3.14068   0.00001  -0.00370   0.00124  -0.00246   3.14004
    D8        0.02402   0.00001  -0.00135   0.00019  -0.00115   0.02286
    D9       -2.27827   0.00018  -0.00456   0.00395  -0.00060  -2.27887
   D10        0.86750   0.00019  -0.00427   0.00461   0.00034   0.86784
   D11        0.86556   0.00016  -0.00370   0.00272  -0.00098   0.86459
   D12       -2.27185   0.00017  -0.00342   0.00338  -0.00004  -2.27189
   D13       -0.01726  -0.00001   0.00387  -0.00112   0.00275  -0.01452
   D14       -3.12830  -0.00003   0.00652  -0.00275   0.00378  -3.12451
   D15        3.10169  -0.00002   0.00272  -0.00037   0.00234   3.10403
   D16       -0.00934  -0.00005   0.00537  -0.00200   0.00338  -0.00596
   D17        0.00619   0.00001  -0.00445   0.00092  -0.00353   0.00266
   D18        3.13577   0.00004  -0.00665   0.00203  -0.00463   3.13114
   D19        3.11798   0.00003  -0.00703   0.00252  -0.00453   3.11345
   D20       -0.03562   0.00007  -0.00923   0.00362  -0.00563  -0.04126
   D21        3.13572   0.00004   0.00551   0.00129   0.00680  -3.14067
   D22       -0.00575  -0.00002   0.00632  -0.00034   0.00597   0.00022
   D23        0.02512   0.00002   0.00820  -0.00036   0.00785   0.03297
   D24       -3.11635  -0.00004   0.00900  -0.00199   0.00702  -3.10933
   D25        0.00942  -0.00002   0.00145  -0.00029   0.00118   0.01060
   D26        3.12957  -0.00000   0.00022   0.00035   0.00058   3.13015
   D27       -3.12022  -0.00005   0.00365  -0.00138   0.00227  -3.11795
   D28       -0.00007  -0.00004   0.00241  -0.00074   0.00167   0.00160
   D29       -0.01009  -0.00002   0.00327  -0.00215   0.00111  -0.00898
   D30       -3.13941  -0.00003   0.00147  -0.00122   0.00021  -3.13920
   D31        3.11950   0.00001   0.00106  -0.00105   0.00000   3.11950
   D32       -0.00983   0.00001  -0.00073  -0.00012  -0.00089  -0.01072
   D33       -0.01415   0.00002   0.00224  -0.00020   0.00204  -0.01210
   D34        3.10409   0.00002  -0.00009   0.00085   0.00077   3.10486
   D35       -3.13375   0.00001   0.00348  -0.00085   0.00263  -3.13112
   D36       -0.01551   0.00001   0.00115   0.00020   0.00135  -0.01416
   D37        0.03136  -0.00015  -0.00096  -0.00435  -0.00529   0.02607
   D38       -3.10164  -0.00016  -0.00115  -0.00373  -0.00488  -3.10652
   D39       -3.11034  -0.00009  -0.00174  -0.00276  -0.00449  -3.11483
   D40        0.03984  -0.00010  -0.00193  -0.00214  -0.00407   0.03576
   D41        3.11251   0.00008  -0.00212   0.00356   0.00143   3.11394
   D42       -0.05308   0.00004   0.00258   0.00120   0.00377  -0.04931
   D43       -0.02896   0.00002  -0.00133   0.00196   0.00062  -0.02834
   D44        3.08863  -0.00001   0.00337  -0.00040   0.00297   3.09160
   D45       -0.07761   0.00021  -0.00513   0.00580   0.00066  -0.07696
   D46        3.07582   0.00015  -0.00007   0.00359   0.00355   3.07937
   D47        3.05518   0.00021  -0.00494   0.00518   0.00022   3.05541
   D48       -0.07457   0.00015   0.00012   0.00296   0.00312  -0.07146
   D49       -0.02167   0.00009   0.00385   0.00029   0.00415  -0.01753
   D50        3.12814  -0.00008   0.00135  -0.00161  -0.00025   3.12789
   D51        3.12871   0.00008   0.00367   0.00092   0.00458   3.13329
   D52       -0.00467  -0.00008   0.00117  -0.00098   0.00019  -0.00448
   D53        0.06737  -0.00012   0.00409  -0.00260   0.00151   0.06888
   D54       -3.08698  -0.00012   0.00595  -0.00355   0.00243  -3.08454
   D55       -3.08548  -0.00006  -0.00072  -0.00051  -0.00119  -3.08667
   D56        0.04336  -0.00006   0.00114  -0.00146  -0.00027   0.04309
   D57        3.09233   0.00002   0.00204  -0.00027   0.00176   3.09409
   D58       -0.17318  -0.00000   0.01490   0.00918   0.02402  -0.14916
   D59       -0.23103   0.00041   0.02487   0.00745   0.03253  -0.19850
   D60       -0.03778  -0.00004   0.00696  -0.00242   0.00454  -0.03324
   D61        2.97989  -0.00006   0.01982   0.00703   0.02679   3.00669
   D62        2.92204   0.00035   0.02978   0.00530   0.03531   2.95735
   D63        3.11617   0.00007  -0.00362   0.00159  -0.00200   3.11417
   D64       -0.01282   0.00007  -0.00544   0.00254  -0.00291  -0.01573
   D65       -0.00111   0.00007   0.00272   0.00012   0.00284   0.00173
   D66       -3.13765   0.00003   0.00147  -0.00002   0.00146  -3.13619
   D67       -3.11934   0.00011  -0.00186   0.00243   0.00056  -3.11878
   D68        0.02731   0.00006  -0.00312   0.00229  -0.00083   0.02649
   D69        0.02041  -0.00009  -0.00078  -0.00203  -0.00281   0.01761
   D70       -3.09958  -0.00003  -0.00021  -0.00092  -0.00112  -3.10069
   D71       -3.12625  -0.00004   0.00047  -0.00189  -0.00142  -3.12767
   D72        0.03695   0.00002   0.00104  -0.00078   0.00027   0.03721
   D73       -2.32029   0.00008   0.00663  -0.00069   0.00594  -2.31435
   D74        0.81597   0.00008   0.00526  -0.00113   0.00413   0.82009
   D75        0.82642   0.00004   0.00538  -0.00083   0.00455   0.83097
   D76       -2.32051   0.00004   0.00400  -0.00128   0.00273  -2.31778
   D77       -0.00884   0.00001  -0.00252   0.00182  -0.00068  -0.00952
   D78        3.12471   0.00017  -0.00007   0.00368   0.00362   3.12833
   D79        3.11119  -0.00005  -0.00305   0.00071  -0.00232   3.10886
   D80       -0.03845   0.00012  -0.00060   0.00257   0.00198  -0.03647
   D81        0.00434   0.00012  -0.01034   0.00490  -0.00547  -0.00113
   D82       -3.13994   0.00016  -0.01173   0.00557  -0.00621   3.13704
   D83       -3.02454   0.00007  -0.02142  -0.00410  -0.02553  -3.05007
   D84        0.11437   0.00011  -0.02281  -0.00343  -0.02627   0.08810
   D85       -2.98815  -0.00044  -0.02917  -0.00223  -0.03120  -3.01935
   D86        0.15075  -0.00040  -0.03056  -0.00155  -0.03193   0.11882
   D87        0.02794  -0.00010   0.00600  -0.00377   0.00223   0.03017
   D88       -3.11057  -0.00004   0.00459  -0.00252   0.00206  -3.10851
   D89       -3.11100  -0.00014   0.00737  -0.00444   0.00297  -3.10803
   D90        0.03368  -0.00008   0.00596  -0.00318   0.00279   0.03647
   D91        3.12941   0.00002  -0.00188   0.00127  -0.00060   3.12881
   D92       -0.04172   0.00004  -0.00376   0.00382   0.00008  -0.04165
   D93       -0.01492   0.00006  -0.00329   0.00196  -0.00135  -0.01627
   D94        3.09713   0.00008  -0.00517   0.00450  -0.00068   3.09646
   D95       -0.02289   0.00001   0.00176   0.00011   0.00184  -0.02104
   D96        3.11561  -0.00005   0.00318  -0.00115   0.00201   3.11763
   D97       -0.02629   0.00004  -0.00441   0.00222  -0.00219  -0.02848
   D98        3.10092  -0.00000  -0.00290   0.00137  -0.00152   3.09940
   D99        3.11836   0.00010  -0.00580   0.00346  -0.00236   3.11599
   D100      -0.03762   0.00006  -0.00429   0.00261  -0.00169  -0.03931
   D101      -0.01121  -0.00001  -0.00092   0.00022  -0.00069  -0.01190
   D102       3.10516  -0.00000  -0.00185   0.00099  -0.00085   3.10430
   D103      -3.12226  -0.00002   0.00111  -0.00240  -0.00129  -3.12355
   D104      -0.00590  -0.00002   0.00018  -0.00163  -0.00145  -0.00735
   D105       0.01862  -0.00003   0.00244  -0.00119   0.00126   0.01988
   D106       3.13672   0.00002   0.00258  -0.00062   0.00196   3.13868
   D107      -3.09800  -0.00003   0.00339  -0.00196   0.00144  -3.09656
   D108       0.02010   0.00001   0.00353  -0.00139   0.00214   0.02224
   D109       0.00072   0.00001   0.00031  -0.00006   0.00025   0.00096
   D110      -3.12598   0.00006  -0.00127   0.00083  -0.00045  -3.12643
   D111      -3.11696  -0.00003   0.00016  -0.00063  -0.00047  -3.11743
   D112       0.03953   0.00001  -0.00142   0.00025  -0.00117   0.03836
   D113      -2.29031   0.00011   0.00166   0.00104   0.00270  -2.28762
   D114       0.84454   0.00010   0.00155   0.00103   0.00258   0.84712
   D115       0.82747   0.00015   0.00179   0.00162   0.00341   0.83088
   D116      -2.32086   0.00015   0.00168   0.00161   0.00329  -2.31757
   D117      -3.13840  -0.00000   0.00092  -0.00013   0.00079  -3.13761
   D118       0.05144  -0.00002   0.00364  -0.00160   0.00205   0.05350
   D119      -0.00036  -0.00001   0.00068  -0.00070  -0.00001  -0.00037
   D120      -3.09371  -0.00003   0.00340  -0.00216   0.00125  -3.09246
   D121       3.13597   0.00001  -0.00064   0.00008  -0.00056   3.13540
   D122       0.04134  -0.00001   0.00139  -0.00094   0.00045   0.04179
   D123      -0.00206   0.00001  -0.00041   0.00065   0.00024  -0.00182
   D124      -3.09669  -0.00000   0.00163  -0.00037   0.00126  -3.09543
   D125       3.13422  -0.00002  -0.00200  -0.00010  -0.00209   3.13213
   D126       0.04729  -0.00007  -0.00209  -0.00174  -0.00383   0.04346
   D127      -0.00283  -0.00002  -0.00083   0.00028  -0.00055  -0.00338
   D128      -3.08977  -0.00006  -0.00092  -0.00136  -0.00228  -3.09205
   D129      -3.13727   0.00002   0.00222  -0.00004   0.00217  -3.13510
   D130       0.06043  -0.00001   0.00120  -0.00061   0.00058   0.06101
   D131      -0.00024   0.00002   0.00104  -0.00042   0.00062   0.00038
   D132      -3.08572  -0.00001   0.00002  -0.00099  -0.00097  -3.08670
   D133       3.12770   0.00001   0.00069  -0.00014   0.00056   3.12825
   D134       0.03779  -0.00002   0.00151  -0.00125   0.00026   0.03805
   D135      -0.00813   0.00002   0.00079  -0.00013   0.00066  -0.00747
   D136      -3.09804  -0.00001   0.00162  -0.00125   0.00037  -3.09767
   D137      -3.13044  -0.00001  -0.00032  -0.00011  -0.00043  -3.13088
   D138       0.06535  -0.00006   0.00126  -0.00213  -0.00087   0.06448
   D139       0.00542  -0.00002  -0.00042  -0.00012  -0.00054   0.00488
   D140      -3.08197  -0.00007   0.00116  -0.00214  -0.00097  -3.08295
   D141       0.00471   0.00001   0.00030  -0.00004   0.00026   0.00498
   D142      -3.12084  -0.00001   0.00261  -0.00110   0.00152  -3.11932
   D143       3.09686   0.00007   0.00043   0.00147   0.00189   3.09875
   D144      -0.02869   0.00005   0.00274   0.00041   0.00314  -0.02555
   D145       3.11040   0.00001  -0.00145   0.00098  -0.00047   3.10993
   D146      -0.02561   0.00003  -0.00306   0.00175  -0.00132  -0.02693
   D147       0.02954  -0.00005  -0.00156  -0.00086  -0.00242   0.02712
   D148      -3.10647  -0.00003  -0.00317  -0.00009  -0.00327  -3.10974
   D149      -0.00480   0.00000   0.00033  -0.00022   0.00012  -0.00468
   D150       3.11554   0.00002  -0.00251   0.00097  -0.00153   3.11401
   D151       3.11765   0.00003  -0.00242   0.00105  -0.00137   3.11629
   D152      -0.04520   0.00004  -0.00526   0.00224  -0.00302  -0.04821
   D153       0.00785  -0.00002  -0.00183   0.00009  -0.00174   0.00611
   D154      -3.14104   0.00000  -0.00130   0.00053  -0.00077   3.14137
   D155      -3.11270  -0.00004   0.00120  -0.00130  -0.00010  -3.11280
   D156       0.02160  -0.00002   0.00173  -0.00086   0.00086   0.02246
   D157       0.00313  -0.00001  -0.00084   0.00039  -0.00045   0.00267
   D158       3.09407   0.00003   0.00010   0.00093   0.00103   3.09510
   D159      -3.12066  -0.00003   0.00154  -0.00061   0.00094  -3.11972
   D160      -0.02972   0.00002   0.00249  -0.00007   0.00242  -0.02730
   D161      -3.10973  -0.00002   0.00113  -0.00099   0.00014  -3.10959
   D162       0.02327  -0.00001   0.00171  -0.00068   0.00103   0.02430
   D163       0.00849  -0.00001  -0.00200   0.00032  -0.00168   0.00681
   D164       3.14149   0.00001  -0.00142   0.00063  -0.00079   3.14070
   D165       3.10888   0.00002   0.00000   0.00015   0.00016   3.10904
   D166      -0.01982   0.00006  -0.00110   0.00138   0.00028  -0.01955
   D167       0.02957  -0.00003  -0.00114  -0.00050  -0.00163   0.02794
   D168      -3.09913   0.00001  -0.00224   0.00073  -0.00151  -3.10065
   D169       0.00257   0.00000  -0.00069   0.00048  -0.00022   0.00235
   D170      -3.12433  -0.00000   0.00219  -0.00040   0.00179  -3.12254
   D171       3.10051   0.00003  -0.00305   0.00177  -0.00128   3.09923
   D172      -0.02639   0.00003  -0.00018   0.00090   0.00073  -0.02566
   D173       3.11420   0.00001  -0.00190   0.00056  -0.00135   3.11285
   D174      -0.01859   0.00003  -0.00157   0.00086  -0.00072  -0.01931
   D175       0.02619  -0.00002   0.00108  -0.00106   0.00001   0.02620
   D176      -3.10660   0.00000   0.00140  -0.00076   0.00064  -3.10596
   D177      -0.00377   0.00001   0.00043  -0.00008   0.00036  -0.00341
   D178       3.12113   0.00001  -0.00250   0.00060  -0.00190   3.11923
   D179       3.12024   0.00002  -0.00299   0.00096  -0.00202   3.11821
   D180      -0.03805   0.00002  -0.00593   0.00163  -0.00428  -0.04233
   D181       0.00800  -0.00002  -0.00084  -0.00026  -0.00111   0.00689
   D182      -3.14124   0.00001  -0.00075   0.00034  -0.00041   3.14154
   D183      -3.11425  -0.00003   0.00293  -0.00140   0.00152  -3.11273
   D184       0.01969  -0.00000   0.00303  -0.00079   0.00223   0.02192
   D185       0.00361  -0.00001  -0.00002  -0.00035  -0.00037   0.00323
   D186       3.10275   0.00001  -0.00180   0.00058  -0.00122   3.10153
   D187      -3.12403  -0.00002   0.00245  -0.00091   0.00154  -3.12249
   D188      -0.02489   0.00001   0.00067   0.00001   0.00069  -0.02420
   D189      -3.11565  -0.00001   0.00206  -0.00059   0.00146  -3.11419
   D190       0.01887   0.00000   0.00240  -0.00027   0.00213   0.02101
   D191       0.00759  -0.00001  -0.00117   0.00015  -0.00103   0.00656
   D192      -3.14107   0.00001  -0.00083   0.00047  -0.00036  -3.14143
   D193       3.11369   0.00001  -0.00187   0.00079  -0.00108   3.11261
   D194      -0.01816   0.00004  -0.00216   0.00125  -0.00091  -0.01907
   D195       0.02424  -0.00001   0.00036  -0.00034   0.00002   0.02426
   D196      -3.10760   0.00001   0.00007   0.00011   0.00018  -3.10742
   D197       0.00762  -0.00001  -0.00084   0.00031  -0.00053   0.00709
   D198      -3.11929  -0.00002   0.00153  -0.00047   0.00106  -3.11823
   D199       3.10254   0.00003  -0.00153   0.00131  -0.00022   3.10232
   D200      -0.02437   0.00002   0.00085   0.00053   0.00137  -0.02300
   D201       3.10697   0.00002  -0.00052   0.00018  -0.00034   3.10663
   D202      -0.02548   0.00004  -0.00093   0.00084  -0.00009  -0.02557
   D203       0.02279  -0.00002   0.00038  -0.00106  -0.00068   0.02211
   D204      -3.10966   0.00000  -0.00004  -0.00040  -0.00044  -3.11010
   D205      -0.00424   0.00000   0.00058  -0.00038   0.00020  -0.00405
   D206       3.11626   0.00003  -0.00267   0.00106  -0.00160   3.11466
   D207       3.11984   0.00001  -0.00224   0.00055  -0.00169   3.11814
   D208      -0.04284   0.00003  -0.00549   0.00199  -0.00349  -0.04633
   D209       0.00787  -0.00001  -0.00137   0.00015  -0.00123   0.00664
   D210      -3.14156   0.00000  -0.00096   0.00040  -0.00056   3.14106
   D211      -3.11446  -0.00002   0.00173  -0.00088   0.00085  -3.11361
   D212       0.01929  -0.00000   0.00214  -0.00062   0.00152   0.02081
   D213      -0.00069   0.00001  -0.00010   0.00031   0.00021  -0.00048
   D214       3.09187   0.00007  -0.00149   0.00214   0.00064   3.09251
   D215      -3.12463  -0.00001   0.00263  -0.00090   0.00173  -3.12291
   D216      -0.03208   0.00004   0.00123   0.00092   0.00216  -0.02992
   D217      -3.10985  -0.00005   0.00215  -0.00171   0.00043  -3.10941
   D218       0.02355  -0.00002   0.00265  -0.00122   0.00144   0.02498
   D219       0.00856  -0.00002  -0.00142  -0.00013  -0.00155   0.00700
   D220      -3.14123   0.00000  -0.00092   0.00037  -0.00055   3.14140
   D221       3.11496   0.00002  -0.00185   0.00098  -0.00087   3.11409
   D222      -0.01544   0.00003  -0.00226   0.00114  -0.00112  -0.01656
   D223       0.03357  -0.00004  -0.00011  -0.00126  -0.00137   0.03220
   D224      -3.09683  -0.00003  -0.00052  -0.00110  -0.00162  -3.09844
   D225       0.01155   0.00001   0.00026   0.00000   0.00026   0.01181
   D226      -3.13821  -0.00002  -0.00076  -0.00005  -0.00081  -3.13902
   D227      -3.12144  -0.00001  -0.00033  -0.00030  -0.00063  -3.12207
   D228       0.01199  -0.00003  -0.00134  -0.00036  -0.00170   0.01029
   D229      -0.01141  -0.00001   0.00111  -0.00059   0.00051  -0.01089
   D230       3.12453  -0.00000  -0.00090   0.00063  -0.00027   3.12426
   D231       3.13833   0.00001   0.00212  -0.00054   0.00158   3.13991
   D232      -0.00892   0.00002   0.00012   0.00068   0.00080  -0.00812
   D233      -0.00912   0.00002  -0.00066   0.00082   0.00016  -0.00895
   D234       3.11972  -0.00002   0.00045  -0.00039   0.00005   3.11977
   D235       3.13811   0.00001   0.00134  -0.00040   0.00094   3.13904
   D236      -0.01625  -0.00003   0.00244  -0.00161   0.00083  -0.01542
   D237      -0.01050   0.00002  -0.00048   0.00084   0.00037  -0.01013
   D238       3.13495   0.00001   0.00092  -0.00032   0.00061   3.13555
   D239       3.12558  -0.00000   0.00113   0.00008   0.00121   3.12679
   D240      -0.01216  -0.00001   0.00253  -0.00108   0.00145  -0.01071
   D241      -0.00957   0.00000   0.00133  -0.00037   0.00095  -0.00862
   D242       3.13813   0.00002   0.00143  -0.00014   0.00128   3.13942
   D243       3.12815   0.00001  -0.00008   0.00079   0.00071   3.12886
   D244      -0.00733   0.00003   0.00002   0.00102   0.00104  -0.00629
   D245       0.01077  -0.00000  -0.00014  -0.00011  -0.00025   0.01053
   D246      -3.12351  -0.00003  -0.00067  -0.00054  -0.00121  -3.12472
   D247      -3.13695  -0.00002  -0.00023  -0.00035  -0.00058  -3.13753
   D248       0.01195  -0.00004  -0.00077  -0.00077  -0.00154   0.01041
   D249       0.00922   0.00001   0.00068   0.00002   0.00070   0.00992
   D250      -3.13822  -0.00001  -0.00042   0.00004  -0.00038  -3.13860
   D251      -3.12530  -0.00001   0.00033  -0.00029   0.00004  -3.12526
   D252       0.01045  -0.00003  -0.00077  -0.00028  -0.00105   0.00940
   D253      -0.00965  -0.00001   0.00038  -0.00037   0.00001  -0.00963
   D254       3.12800  -0.00000  -0.00135   0.00072  -0.00063   3.12737
   D255       3.13778   0.00001   0.00148  -0.00038   0.00109   3.13887
   D256      -0.00776   0.00002  -0.00025   0.00070   0.00045  -0.00731
   D257      -0.00705   0.00001  -0.00090   0.00052  -0.00038  -0.00744
   D258       3.12487  -0.00001  -0.00059   0.00006  -0.00053   3.12434
   D259       3.13847  -0.00000   0.00082  -0.00057   0.00025   3.13872
   D260      -0.01279  -0.00003   0.00113  -0.00102   0.00010  -0.01269
   D261      -0.00842   0.00001  -0.00100   0.00062  -0.00038  -0.00880
   D262       3.13876  -0.00000   0.00099  -0.00056   0.00042   3.13919
   D263       3.12444  -0.00002  -0.00130   0.00032  -0.00099   3.12345
   D264      -0.01157  -0.00003   0.00068  -0.00087  -0.00019  -0.01175
   D265      -0.00931  -0.00001  -0.00002  -0.00001  -0.00003  -0.00934
   D266       3.13928   0.00001   0.00157  -0.00048   0.00109   3.14037
   D267       3.12668   0.00001  -0.00202   0.00118  -0.00084   3.12584
   D268      -0.00792   0.00002  -0.00043   0.00071   0.00028  -0.00764
   D269       0.00936   0.00001   0.00096  -0.00017   0.00078   0.01015
   D270      -3.12457  -0.00001   0.00086  -0.00078   0.00008  -3.12449
   D271      -3.13924  -0.00001  -0.00063   0.00029  -0.00034  -3.13958
   D272       0.01001  -0.00003  -0.00073  -0.00031  -0.00104   0.00897
   D273       0.01194  -0.00000   0.00055  -0.00030   0.00025   0.01220
   D274      -3.13866  -0.00001  -0.00027  -0.00003  -0.00030  -3.13897
   D275      -3.12144  -0.00003   0.00004  -0.00078  -0.00075  -3.12219
   D276       0.01114  -0.00003  -0.00079  -0.00052  -0.00131   0.00983
   D277      -0.01004   0.00000   0.00060  -0.00007   0.00053  -0.00951
   D278       3.12400   0.00002  -0.00113   0.00120   0.00007   3.12407
   D279       3.14055   0.00001   0.00142  -0.00033   0.00109  -3.14155
   D280      -0.00860   0.00003  -0.00031   0.00093   0.00062  -0.00798
   D281      -0.01261   0.00002  -0.00081   0.00083   0.00002  -0.01259
   D282       3.11792   0.00001  -0.00040   0.00067   0.00027   3.11819
   D283       3.13650   0.00000   0.00091  -0.00043   0.00048   3.13698
   D284      -0.01615  -0.00001   0.00133  -0.00059   0.00073  -0.01542
   D285      -0.00544   0.00001  -0.00108   0.00095  -0.00013  -0.00557
   D286       3.13956   0.00000   0.00060  -0.00018   0.00042   3.13998
   D287       3.12710  -0.00001  -0.00066   0.00030  -0.00036   3.12674
   D288      -0.01108  -0.00002   0.00103  -0.00084   0.00019  -0.01089
   D289      -0.01051  -0.00001   0.00054  -0.00031   0.00023  -0.01027
   D290       3.13728   0.00001   0.00176  -0.00056   0.00120   3.13849
   D291       3.12766   0.00000  -0.00115   0.00083  -0.00032   3.12734
   D292      -0.00774   0.00002   0.00007   0.00059   0.00065  -0.00708
   D293       0.00910   0.00001   0.00071  -0.00025   0.00046   0.00956
   D294      -3.12464  -0.00001   0.00030  -0.00051  -0.00021  -3.12485
   D295      -3.13870  -0.00001  -0.00051  -0.00001  -0.00052  -3.13922
   D296       0.01074  -0.00003  -0.00092  -0.00026  -0.00119   0.00956
         Item               Value     Threshold  Converged?
 Maximum Force            0.001842     0.000450     NO 
 RMS     Force            0.000199     0.000300     YES
 Maximum Displacement     0.118756     0.001800     NO 
 RMS     Displacement     0.014953     0.001200     NO 
 Predicted change in Energy=-7.359849D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.039867    2.959469    0.097707
      2          6           0       -2.309820    1.593447    0.043633
      3          6           0       -1.276764    0.639230    0.008571
      4          6           0        0.059564    1.100686    0.011500
      5          6           0        0.323594    2.483468    0.052105
      6          6           0       -0.703326    3.404930    0.101929
      7          6           0       -1.548909   -0.806479   -0.069956
      8          6           0       -0.477117   -1.746552   -0.102614
      9          6           0        0.888799   -1.266488   -0.024707
     10          6           0        1.167546    0.150644   -0.010841
     11          6           0       -2.863284   -1.293352   -0.113575
     12          6           0       -3.141671   -2.657079   -0.220766
     13          6           0       -2.076493   -3.573160   -0.285128
     14          6           0       -0.772577   -3.124273   -0.221350
     15          7           0        1.945466   -2.099396    0.020655
     16          6           0        3.228905   -1.642116    0.039075
     17          6           0        3.446533   -0.233695    0.007551
     18          7           0        2.403945    0.627101   -0.004420
     19          6           0        4.328329   -2.534392    0.092428
     20          6           0        5.601461   -2.018057    0.093475
     21          6           0        5.840213   -0.610840    0.027826
     22          6           0        4.770734    0.264703   -0.014934
     23          7           0       -3.099203    3.890813    0.150189
     24          7           0       -4.474622   -3.106119   -0.268122
     25          7           0        7.165327   -0.136563    0.035669
     26          6           0       -5.012020   -4.163951    0.490220
     27          6           0       -6.384379   -4.302113    0.171514
     28          6           0       -6.694000   -3.295564   -0.822881
     29          6           0       -5.500423   -2.574805   -1.070877
     30          6           0       -3.236125    5.025198   -0.667349
     31          6           0       -4.423632    5.708398   -0.307180
     32          6           0       -5.031018    4.961297    0.774304
     33          6           0       -4.194086    3.847648    1.030769
     34          6           0        7.674326    0.888935    0.854792
     35          6           0        9.051904    1.055502    0.572612
     36          6           0        9.393005    0.102604   -0.463509
     37          6           0        8.212444   -0.615135   -0.772712
     38          6           0       -7.858484   -2.969268   -1.526270
     39          6           0       -7.817805   -1.943265   -2.465903
     40          6           0       -6.621228   -1.252740   -2.716664
     41          6           0       -5.447844   -1.559942   -2.030162
     42          6           0       -4.404244   -4.960653    1.464198
     43          6           0       -5.188633   -5.925199    2.093829
     44          6           0       -6.546507   -6.088348    1.774708
     45          6           0       -7.151253   -5.276513    0.819927
     46          6           0       -6.183774    5.152556    1.544405
     47          6           0       -6.480987    4.244603    2.556098
     48          6           0       -5.630379    3.156311    2.810908
     49          6           0       -4.476658    2.944177    2.058912
     50          6           0       -2.433500    5.464302   -1.723986
     51          6           0       -2.822046    6.620780   -2.397308
     52          6           0       -3.985667    7.321001   -2.038905
     53          6           0       -4.792628    6.866854   -1.000088
     54          6           0       10.575193   -0.178359   -1.156929
     55          6           0       10.563249   -1.156701   -2.146823
     56          6           0        9.378613   -1.843606   -2.457565
     57          6           0        8.187540   -1.579578   -1.783707
     58          6           0        7.038353    1.633905    1.850819
     59          6           0        7.799591    2.572088    2.545590
     60          6           0        9.162031    2.763007    2.264298
     61          6           0        9.794479    2.004424    1.283852
     62          1           0       -3.346873    1.288564    0.007979
     63          1           0        1.356990    2.807564    0.064284
     64          1           0       -0.490392    4.465767    0.167169
     65          1           0       -3.701426   -0.614072   -0.044237
     66          1           0       -2.275972   -4.631366   -0.406647
     67          1           0        0.026656   -3.859177   -0.261215
     68          1           0        1.854610   -3.218800    0.142019
     69          1           0        4.133881   -3.600864    0.158473
     70          1           0        6.451230   -2.686935    0.169056
     71          1           0        4.914146    1.336193   -0.078964
     72          1           0       -8.779870   -3.515031   -1.345761
     73          1           0       -8.715320   -1.679189   -3.016317
     74          1           0       -6.603977   -0.466007   -3.464690
     75          1           0       -4.526750   -1.032028   -2.248622
     76          1           0       -3.361267   -4.838565    1.731846
     77          1           0       -4.736297   -6.559596    2.849792
     78          1           0       -7.129020   -6.850677    2.282439
     79          1           0       -8.205108   -5.392587    0.584673
     80          1           0       -6.833954    6.002234    1.357883
     81          1           0       -7.373608    4.380324    3.158587
     82          1           0       -5.871335    2.465478    3.613076
     83          1           0       -3.820772    2.109090    2.276843
     84          1           0       -1.542057    4.924243   -2.021750
     85          1           0       -2.212652    6.982074   -3.220127
     86          1           0       -4.260205    8.219418   -2.582720
     87          1           0       -5.700548    7.400151   -0.734101
     88          1           0       11.487664    0.364887   -0.929746
     89          1           0       11.474405   -1.385795   -2.690387
     90          1           0        9.384339   -2.592072   -3.243933
     91          1           0        7.276478   -2.103135   -2.050075
     92          1           0        5.991083    1.488089    2.088420
     93          1           0        7.325746    3.163585    3.323017
     94          1           0        9.726397    3.503999    2.821627
     95          1           0       10.851767    2.141360    1.077144
     96         17           0        1.993534   -4.980920    0.433998
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462265           0.0189668           0.0145271
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.9942457549 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.52D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000812   -0.000007   -0.000071 Ang=   0.09 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58772104     A.U. after   11 cycles
            NFock= 11  Conv=0.70D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001136183   -0.000335613    0.000008491
      2        6          -0.000117298    0.000106381   -0.000177366
      3        6          -0.000367297   -0.000480861   -0.000120986
      4        6           0.000681149    0.000326696    0.000112890
      5        6          -0.000041432   -0.000419521    0.000034935
      6        6          -0.000431862    0.000065647    0.000131412
      7        6          -0.000247475    0.000409846   -0.000126056
      8        6           0.000260300   -0.000778139    0.000206780
      9        6           0.001244372    0.000725450   -0.000906479
     10        6          -0.000421706   -0.000039088   -0.000082691
     11        6          -0.000184951   -0.000325520   -0.000161946
     12        6           0.000795341    0.000845407    0.000064793
     13        6           0.000071540   -0.000338259    0.000022448
     14        6          -0.000138221    0.000582444    0.000630455
     15        7          -0.002590933   -0.000797630    0.000670261
     16        6           0.000953336   -0.001424694    0.000178678
     17        6          -0.000430693    0.000369800    0.000033084
     18        7           0.000282340    0.000187077   -0.000013032
     19        6          -0.000026093    0.000360716   -0.000026287
     20        6           0.000035035   -0.000003973    0.000083918
     21        6          -0.001276526   -0.000572217   -0.000071824
     22        6           0.000555212    0.000091042    0.000024430
     23        7          -0.000740635    0.000333381    0.000051533
     24        7          -0.000644480   -0.000659093   -0.000013775
     25        7           0.001065312    0.000676084    0.000148968
     26        6           0.000272212    0.000298496    0.000141927
     27        6          -0.000360654   -0.000239735    0.000366403
     28        6          -0.000259789   -0.000149536   -0.000418233
     29        6           0.000245499    0.000193210   -0.000103338
     30        6           0.000092106   -0.000161392   -0.000400352
     31        6          -0.000264838    0.000169687   -0.000327970
     32        6          -0.000326352    0.000154426    0.000365270
     33        6           0.000308336    0.000002784    0.000294693
     34        6          -0.000224526   -0.000416367    0.000089293
     35        6           0.000325413    0.000201564    0.000381580
     36        6           0.000268381    0.000214719   -0.000333576
     37        6          -0.000355053   -0.000001021   -0.000294070
     38        6           0.000081751    0.000212569    0.000009485
     39        6           0.000009578    0.000003873    0.000048337
     40        6          -0.000100822   -0.000255407   -0.000001216
     41        6          -0.000048957    0.000129735    0.000092193
     42        6           0.000058470   -0.000109856   -0.000154441
     43        6          -0.000243424    0.000028520   -0.000042519
     44        6           0.000047758   -0.000018961   -0.000041999
     45        6           0.000229080    0.000039767   -0.000019799
     46        6           0.000120763   -0.000183172   -0.000001444
     47        6           0.000025059   -0.000037761   -0.000022546
     48        6          -0.000154348    0.000231839   -0.000023907
     49        6           0.000058166   -0.000103451   -0.000133157
     50        6           0.000120144    0.000003147    0.000174886
     51        6          -0.000260059   -0.000020430    0.000044271
     52        6           0.000017660    0.000003453    0.000028566
     53        6           0.000215663    0.000003964   -0.000018702
     54        6          -0.000085271   -0.000237690   -0.000034807
     55        6           0.000003015   -0.000010017    0.000060944
     56        6           0.000083476    0.000212249    0.000042301
     57        6           0.000016338   -0.000137267    0.000115751
     58        6          -0.000124871    0.000086346   -0.000063171
     59        6           0.000240520   -0.000017366   -0.000034967
     60        6          -0.000017242   -0.000009137   -0.000038202
     61        6          -0.000237329   -0.000010606    0.000004829
     62        1           0.000001687   -0.000029981   -0.000027841
     63        1           0.000073844   -0.000007063    0.000004058
     64        1          -0.000059777    0.000021879   -0.000000668
     65        1           0.000020654    0.000027382    0.000073608
     66        1          -0.000052585    0.000016329    0.000087548
     67        1          -0.000051910   -0.000036544   -0.000149444
     68        1           0.000230626    0.000914095   -0.000008186
     69        1           0.000042982    0.000037567   -0.000174304
     70        1           0.000026087    0.000063542   -0.000036520
     71        1          -0.000024599    0.000013946    0.000035377
     72        1           0.000026371   -0.000058480    0.000060852
     73        1           0.000023757    0.000043221   -0.000027014
     74        1           0.000010663    0.000070460    0.000016863
     75        1           0.000004449   -0.000070330   -0.000045510
     76        1          -0.000006816    0.000068936    0.000031982
     77        1           0.000065229   -0.000014382   -0.000009908
     78        1           0.000034174    0.000012247    0.000043229
     79        1          -0.000032276    0.000051190   -0.000069453
     80        1           0.000017695    0.000051132   -0.000064820
     81        1           0.000026981   -0.000034791    0.000031882
     82        1           0.000013075   -0.000064449   -0.000004808
     83        1           0.000046234    0.000042555   -0.000014392
     84        1           0.000033388   -0.000065346    0.000016571
     85        1           0.000070917    0.000023769    0.000006256
     86        1           0.000048603   -0.000000744   -0.000035510
     87        1          -0.000029586   -0.000054744    0.000070651
     88        1          -0.000025380    0.000051379    0.000060875
     89        1          -0.000026103   -0.000030813   -0.000041128
     90        1          -0.000001713   -0.000064440    0.000005234
     91        1          -0.000029412    0.000026644    0.000015931
     92        1           0.000013881   -0.000061897   -0.000022141
     93        1          -0.000053297    0.000020534   -0.000000630
     94        1          -0.000041377   -0.000003841    0.000026906
     95        1           0.000036096   -0.000033113   -0.000056055
     96       17           0.000371071    0.000097611   -0.000254435
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002590933 RMS     0.000327824

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001006965 RMS     0.000137899
 Search for a local minimum.
 Step number  16 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15   16
 DE= -1.06D-04 DEPred=-7.36D-05 R= 1.45D+00
 TightC=F SS=  1.41D+00  RLast= 1.04D-01 DXNew= 5.0454D+00 3.1249D-01
 Trust test= 1.45D+00 RLast= 1.04D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00498   0.01169   0.02266   0.02626   0.02708
     Eigenvalues ---    0.02722   0.02727   0.02734   0.02745   0.02751
     Eigenvalues ---    0.02752   0.02756   0.02770   0.02775   0.02785
     Eigenvalues ---    0.02788   0.02792   0.02792   0.02793   0.02795
     Eigenvalues ---    0.02799   0.02805   0.02815   0.02816   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02820   0.02822   0.02830
     Eigenvalues ---    0.02832   0.02835   0.02837   0.02841   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02851
     Eigenvalues ---    0.02857   0.02859   0.02864   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02897   0.02897   0.02898   0.02900
     Eigenvalues ---    0.02900   0.02903   0.02905   0.02909   0.02910
     Eigenvalues ---    0.02913   0.02931   0.02940   0.02942   0.02946
     Eigenvalues ---    0.02981   0.03021   0.03025   0.03084   0.03114
     Eigenvalues ---    0.03126   0.03130   0.03134   0.03144   0.03239
     Eigenvalues ---    0.03336   0.03449   0.03905   0.05632   0.11730
     Eigenvalues ---    0.15340   0.15929   0.15979   0.15995   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16016   0.16033
     Eigenvalues ---    0.16070   0.16148   0.16165   0.18937   0.21173
     Eigenvalues ---    0.21936   0.21999   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22375   0.22443   0.22480   0.22598
     Eigenvalues ---    0.22599   0.22601   0.22604   0.22642   0.22674
     Eigenvalues ---    0.23418   0.23507   0.23513   0.23887   0.24406
     Eigenvalues ---    0.24470   0.24474   0.24504   0.24510   0.24551
     Eigenvalues ---    0.24644   0.24690   0.24894   0.24959   0.24961
     Eigenvalues ---    0.24965   0.24967   0.24970   0.24990   0.24991
     Eigenvalues ---    0.24996   0.25003   0.25005   0.25015   0.25050
     Eigenvalues ---    0.25150   0.25541   0.26626   0.30399   0.32129
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33286   0.33314   0.33333   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33686
     Eigenvalues ---    0.33845   0.33862   0.33879   0.33889   0.33901
     Eigenvalues ---    0.33908   0.33937   0.33951   0.34001   0.34335
     Eigenvalues ---    0.34574   0.34787   0.35964   0.44450   0.44466
     Eigenvalues ---    0.44871   0.45535   0.47704   0.48219   0.48390
     Eigenvalues ---    0.48951   0.48959   0.49635   0.49683   0.50202
     Eigenvalues ---    0.50318   0.50381   0.50396   0.50596   0.50610
     Eigenvalues ---    0.50682   0.51212   0.52753   0.53123   0.53259
     Eigenvalues ---    0.53624   0.54085   0.54109   0.54194   0.54200
     Eigenvalues ---    0.54210   0.54824   0.54953   0.55047   0.55339
     Eigenvalues ---    0.55509   0.55647   0.55739   0.55903   0.55928
     Eigenvalues ---    0.55963   0.56126   0.56129   0.56147   0.56223
     Eigenvalues ---    0.56342   0.56571   0.56662   0.56664   0.56666
     Eigenvalues ---    0.56679   0.56695   0.56699   0.56730   0.56902
     Eigenvalues ---    0.56915   0.56957   0.57139   0.57161   0.57162
     Eigenvalues ---    0.57167   0.57176   0.57179   0.60123   0.61230
     Eigenvalues ---    0.62511   0.65951   0.66061   0.66668   0.67611
     Eigenvalues ---    0.67709   0.68005   0.69777   0.69915   0.72885
     Eigenvalues ---    0.74155   0.76277
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    16   15   14   13   12   11   10
 RFO step:  Lambda=-8.79171496D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    2.34039   -1.79989    0.08437    0.37659    0.08669
                  RFO-DIIS coefs:   -0.05713   -0.03102
 Iteration  1 RMS(Cart)=  0.01949876 RMS(Int)=  0.00012301
 Iteration  2 RMS(Cart)=  0.00022176 RMS(Int)=  0.00005331
 Iteration  3 RMS(Cart)=  0.00000016 RMS(Int)=  0.00005331
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63331  -0.00010   0.00023  -0.00025  -0.00003   2.63329
    R2        2.66230  -0.00037  -0.00006  -0.00037  -0.00043   2.66187
    R3        2.66736   0.00063   0.00055   0.00063   0.00118   2.66854
    R4        2.65838  -0.00007   0.00020  -0.00005   0.00015   2.65853
    R5        2.04379   0.00002   0.00001  -0.00005  -0.00004   2.04376
    R6        2.67162   0.00047   0.00118   0.00051   0.00171   2.67333
    R7        2.78393  -0.00027  -0.00126   0.00035  -0.00090   2.78303
    R8        2.66139  -0.00027  -0.00056  -0.00002  -0.00058   2.66081
    R9        2.75842  -0.00029  -0.00072   0.00004  -0.00068   2.75774
   R10        2.60901   0.00015   0.00048   0.00002   0.00049   2.60950
   R11        2.04675   0.00006   0.00026  -0.00009   0.00017   2.04692
   R12        2.04839   0.00002   0.00002  -0.00007  -0.00005   2.04834
   R13        2.69479   0.00022   0.00227  -0.00082   0.00145   2.69624
   R14        2.65002   0.00006   0.00023   0.00004   0.00027   2.65029
   R15        2.73994   0.00013   0.00068  -0.00078  -0.00011   2.73984
   R16        2.67215  -0.00044  -0.00047  -0.00036  -0.00083   2.67132
   R17        2.72943  -0.00010   0.00197  -0.00147   0.00047   2.72990
   R18        2.54401  -0.00089  -0.00002  -0.00143  -0.00142   2.54259
   R19        2.50396   0.00019   0.00018   0.00014   0.00027   2.50424
   R20        2.63801  -0.00026  -0.00025   0.00014  -0.00011   2.63790
   R21        2.04292  -0.00000   0.00013  -0.00023  -0.00011   2.04282
   R22        2.65770  -0.00001  -0.00009   0.00022   0.00013   2.65783
   R23        2.65951   0.00073   0.00116   0.00046   0.00162   2.66113
   R24        2.60875  -0.00001   0.00013   0.00007   0.00021   2.60896
   R25        2.04786  -0.00003  -0.00006  -0.00011  -0.00017   2.04769
   R26        2.05316  -0.00002   0.00022   0.00054   0.00076   2.05392
   R27        2.57493   0.00041   0.00093   0.00050   0.00147   2.57640
   R28        2.13468  -0.00055  -0.01291   0.00379  -0.00867   2.12601
   R29        5.50178  -0.00036   0.00285   0.00455   0.00694   5.50872
   R30        2.69377   0.00058   0.00133   0.00051   0.00187   2.69564
   R31        2.67764  -0.00013   0.00054  -0.00035   0.00020   2.67784
   R32        2.55505  -0.00010  -0.00052   0.00027  -0.00028   2.55477
   R33        2.67409   0.00020   0.00067  -0.00004   0.00064   2.67473
   R34        2.59620  -0.00005   0.00007   0.00004   0.00010   2.59630
   R35        2.05236  -0.00004   0.00028  -0.00025   0.00004   2.05240
   R36        2.70011  -0.00015   0.00002  -0.00024  -0.00023   2.69988
   R37        2.04860  -0.00001   0.00009  -0.00010  -0.00000   2.04860
   R38        2.61315  -0.00036  -0.00040  -0.00019  -0.00060   2.61255
   R39        2.65970   0.00095   0.00116   0.00070   0.00186   2.66156
   R40        2.04646   0.00002   0.00001   0.00001   0.00001   2.04647
   R41        2.65501  -0.00009  -0.00047   0.00003  -0.00045   2.65456
   R42        2.65643  -0.00012  -0.00046  -0.00026  -0.00072   2.65571
   R43        2.66102  -0.00017  -0.00086   0.00017  -0.00069   2.66033
   R44        2.65839   0.00007  -0.00088   0.00027  -0.00061   2.65779
   R45        2.66021  -0.00026  -0.00089  -0.00009  -0.00098   2.65924
   R46        2.65838  -0.00011  -0.00067   0.00005  -0.00061   2.65777
   R47        2.67517   0.00021   0.00132  -0.00019   0.00113   2.67630
   R48        2.64072  -0.00011   0.00019  -0.00002   0.00017   2.64090
   R49        2.73706   0.00023   0.00079  -0.00012   0.00067   2.73772
   R50        2.64426  -0.00018  -0.00001  -0.00019  -0.00020   2.64406
   R51        2.67623   0.00020   0.00139  -0.00036   0.00103   2.67726
   R52        2.64376  -0.00012   0.00009  -0.00020  -0.00012   2.64364
   R53        2.64085  -0.00003   0.00042  -0.00017   0.00025   2.64110
   R54        2.67692   0.00014   0.00115  -0.00020   0.00094   2.67786
   R55        2.64123  -0.00018   0.00020  -0.00014   0.00005   2.64128
   R56        2.73631   0.00032   0.00090   0.00001   0.00091   2.73722
   R57        2.64447  -0.00014  -0.00000  -0.00010  -0.00010   2.64437
   R58        2.67678   0.00020   0.00127  -0.00029   0.00098   2.67776
   R59        2.64459  -0.00013   0.00003  -0.00017  -0.00013   2.64446
   R60        2.64101  -0.00014   0.00023  -0.00029  -0.00006   2.64096
   R61        2.67587   0.00021   0.00128  -0.00022   0.00105   2.67693
   R62        2.63988  -0.00007   0.00030  -0.00011   0.00019   2.64007
   R63        2.73711   0.00027   0.00099  -0.00013   0.00086   2.73797
   R64        2.64409  -0.00013   0.00008  -0.00019  -0.00012   2.64397
   R65        2.67547   0.00019   0.00123  -0.00021   0.00102   2.67649
   R66        2.64382  -0.00011   0.00010  -0.00015  -0.00006   2.64377
   R67        2.64081  -0.00009   0.00025  -0.00010   0.00016   2.64096
   R68        2.63022  -0.00007  -0.00001  -0.00004  -0.00005   2.63016
   R69        2.05224   0.00003   0.00006   0.00001   0.00007   2.05231
   R70        2.65337  -0.00012   0.00039  -0.00029   0.00010   2.65347
   R71        2.05122  -0.00000  -0.00008   0.00001  -0.00007   2.05115
   R72        2.63377   0.00003   0.00002   0.00006   0.00008   2.63385
   R73        2.05171   0.00004   0.00014  -0.00005   0.00010   2.05181
   R74        2.04827  -0.00004  -0.00014   0.00005  -0.00010   2.04817
   R75        2.63347   0.00000  -0.00007   0.00012   0.00004   2.63352
   R76        2.04784   0.00002   0.00004  -0.00012  -0.00008   2.04776
   R77        2.65389  -0.00010   0.00043  -0.00036   0.00007   2.65395
   R78        2.05150   0.00003   0.00013  -0.00003   0.00010   2.05160
   R79        2.62964  -0.00002   0.00009  -0.00007   0.00002   2.62966
   R80        2.05125  -0.00000  -0.00007  -0.00000  -0.00008   2.05118
   R81        2.05227   0.00003   0.00005   0.00002   0.00007   2.05234
   R82        2.62953  -0.00000   0.00010   0.00002   0.00012   2.62965
   R83        2.05231   0.00003   0.00006   0.00002   0.00007   2.05238
   R84        2.65427  -0.00010   0.00040  -0.00026   0.00014   2.65441
   R85        2.05119  -0.00000  -0.00008   0.00002  -0.00007   2.05112
   R86        2.63315   0.00005   0.00008   0.00008   0.00017   2.63332
   R87        2.05171   0.00004   0.00014  -0.00003   0.00011   2.05182
   R88        2.04846   0.00001  -0.00004   0.00010   0.00007   2.04852
   R89        2.63328   0.00003  -0.00001   0.00015   0.00014   2.63343
   R90        2.04841   0.00005   0.00016  -0.00019  -0.00003   2.04838
   R91        2.65422  -0.00007   0.00047  -0.00032   0.00016   2.65438
   R92        2.05183   0.00004   0.00015  -0.00003   0.00012   2.05195
   R93        2.62976   0.00000   0.00013  -0.00005   0.00008   2.62984
   R94        2.05125  -0.00000  -0.00008   0.00001  -0.00007   2.05118
   R95        2.05231   0.00003   0.00004   0.00003   0.00007   2.05238
   R96        2.63018  -0.00004   0.00009  -0.00009   0.00001   2.63018
   R97        2.05219   0.00003   0.00006   0.00002   0.00008   2.05226
   R98        2.65354  -0.00008   0.00047  -0.00031   0.00016   2.65370
   R99        2.05116  -0.00000  -0.00008   0.00001  -0.00006   2.05110
   R100       2.63375   0.00002   0.00001   0.00007   0.00009   2.63383
   R101       2.05156   0.00004   0.00014  -0.00004   0.00010   2.05166
   R102       2.04850  -0.00000   0.00001  -0.00008  -0.00008   2.04842
   R103       2.63370   0.00002   0.00007   0.00004   0.00011   2.63380
   R104       2.04797   0.00000   0.00003  -0.00007  -0.00004   2.04793
   R105       2.65358  -0.00009   0.00041  -0.00028   0.00014   2.65372
   R106       2.05172   0.00004   0.00015  -0.00003   0.00011   2.05183
   R107       2.62985  -0.00003   0.00011  -0.00006   0.00006   2.62991
   R108       2.05120  -0.00000  -0.00008   0.00002  -0.00006   2.05114
   R109       2.05219   0.00003   0.00006   0.00002   0.00008   2.05227
   R110       3.38552   0.00033   0.01556  -0.00000   0.01601   3.40153
    A1        2.08732   0.00023   0.00032   0.00034   0.00066   2.08798
    A2        2.09771  -0.00008   0.00008  -0.00072  -0.00064   2.09707
    A3        2.09815  -0.00015  -0.00039   0.00038  -0.00002   2.09813
    A4        2.12192  -0.00008  -0.00009   0.00002  -0.00007   2.12185
    A5        2.05260   0.00007   0.00085  -0.00048   0.00036   2.05296
    A6        2.10844   0.00001  -0.00075   0.00047  -0.00028   2.10817
    A7        2.06312  -0.00007  -0.00007  -0.00035  -0.00042   2.06271
    A8        2.13096   0.00003   0.00007   0.00007   0.00013   2.13110
    A9        2.08867   0.00004   0.00003   0.00032   0.00035   2.08903
   A10        2.09179  -0.00005  -0.00035   0.00023  -0.00013   2.09166
   A11        2.10019   0.00005   0.00029  -0.00018   0.00012   2.10030
   A12        2.09113   0.00001   0.00009  -0.00004   0.00003   2.09116
   A13        2.11402   0.00005   0.00060  -0.00019   0.00042   2.11445
   A14        2.06348  -0.00007  -0.00006  -0.00005  -0.00012   2.06337
   A15        2.10547   0.00002  -0.00054   0.00024  -0.00030   2.10517
   A16        2.08806  -0.00008  -0.00043  -0.00004  -0.00047   2.08758
   A17        2.08977  -0.00002   0.00066  -0.00024   0.00042   2.09019
   A18        2.10510   0.00010  -0.00022   0.00029   0.00007   2.10517
   A19        2.10517  -0.00010   0.00038  -0.00051  -0.00014   2.10504
   A20        2.11240   0.00013  -0.00057   0.00143   0.00087   2.11328
   A21        2.06561  -0.00003   0.00019  -0.00092  -0.00074   2.06487
   A22        2.08123  -0.00002  -0.00025  -0.00000  -0.00029   2.08094
   A23        2.07965  -0.00002  -0.00132   0.00161   0.00029   2.07994
   A24        2.12228   0.00004   0.00158  -0.00161  -0.00001   2.12227
   A25        2.10271   0.00012  -0.00020   0.00136   0.00110   2.10381
   A26        2.13696  -0.00044   0.00143  -0.00343  -0.00202   2.13494
   A27        2.04343   0.00032  -0.00124   0.00208   0.00094   2.04437
   A28        2.08546  -0.00006   0.00019  -0.00061  -0.00042   2.08504
   A29        2.06481   0.00007  -0.00113   0.00221   0.00108   2.06590
   A30        2.13285  -0.00001   0.00095  -0.00160  -0.00065   2.13220
   A31        2.12759  -0.00010   0.00010   0.00007   0.00016   2.12776
   A32        2.10193   0.00001  -0.00016  -0.00019  -0.00034   2.10160
   A33        2.05346   0.00009   0.00004   0.00009   0.00014   2.05360
   A34        2.08151   0.00015   0.00033   0.00028   0.00061   2.08211
   A35        2.09805   0.00002  -0.00025  -0.00033  -0.00058   2.09747
   A36        2.10363  -0.00017  -0.00007   0.00005  -0.00003   2.10360
   A37        2.09607  -0.00012  -0.00052  -0.00017  -0.00070   2.09538
   A38        2.09644   0.00001   0.00084  -0.00002   0.00082   2.09726
   A39        2.09043   0.00011  -0.00035   0.00018  -0.00017   2.09027
   A40        2.11536   0.00012   0.00141  -0.00084   0.00055   2.11591
   A41        2.10413   0.00002   0.00051  -0.00037   0.00013   2.10426
   A42        2.06368  -0.00014  -0.00188   0.00122  -0.00067   2.06301
   A43        2.13192   0.00006   0.00067   0.00011   0.00064   2.13256
   A44        2.15746   0.00042   0.00270   0.00127   0.00414   2.16160
   A45        2.25246   0.00099   0.01060  -0.00052   0.00964   2.26210
   A46        1.98982  -0.00048  -0.00247  -0.00125  -0.00373   1.98608
   A47        1.89092  -0.00101  -0.00799   0.00078  -0.00758   1.88334
   A48        2.06585  -0.00030  -0.00027  -0.00165  -0.00183   2.06403
   A49        2.11767   0.00048   0.00010   0.00208   0.00210   2.11977
   A50        2.09966  -0.00017   0.00017  -0.00042  -0.00027   2.09939
   A51        2.10773   0.00010   0.00014   0.00087   0.00103   2.10876
   A52        2.08428  -0.00004  -0.00025   0.00010  -0.00014   2.08414
   A53        2.09118  -0.00006   0.00011  -0.00098  -0.00091   2.09028
   A54        2.08362  -0.00016  -0.00024   0.00030   0.00003   2.08365
   A55        2.07418   0.00008  -0.00038   0.00033  -0.00004   2.07414
   A56        2.07342  -0.00000  -0.00106   0.00049  -0.00059   2.07284
   A57        2.13521  -0.00008   0.00151  -0.00080   0.00069   2.13590
   A58        2.12346   0.00003   0.00015   0.00005   0.00021   2.12367
   A59        2.08813   0.00006   0.00018  -0.00009   0.00008   2.08821
   A60        2.07133  -0.00008  -0.00030   0.00003  -0.00027   2.07105
   A61        2.08951   0.00018   0.00067  -0.00012   0.00055   2.09006
   A62        2.08167  -0.00012  -0.00053   0.00028  -0.00025   2.08142
   A63        2.11177  -0.00006  -0.00011  -0.00015  -0.00027   2.11151
   A64        2.09468  -0.00007  -0.00033   0.00013  -0.00019   2.09449
   A65        2.06389   0.00001   0.00038  -0.00041  -0.00004   2.06385
   A66        2.12454   0.00006  -0.00006   0.00026   0.00020   2.12474
   A67        2.19475  -0.00014  -0.00085   0.00061  -0.00024   2.19452
   A68        2.19886   0.00002   0.00007  -0.00046  -0.00039   2.19846
   A69        1.88957   0.00012   0.00078  -0.00015   0.00063   1.89020
   A70        2.19325  -0.00008  -0.00058   0.00073   0.00015   2.19339
   A71        2.20104  -0.00000  -0.00025  -0.00049  -0.00075   2.20029
   A72        1.88889   0.00009   0.00083  -0.00023   0.00060   1.88948
   A73        2.20080  -0.00012  -0.00048  -0.00012  -0.00060   2.20020
   A74        2.19317  -0.00002  -0.00038   0.00029  -0.00009   2.19307
   A75        1.88921   0.00014   0.00086  -0.00017   0.00069   1.88990
   A76        1.89868   0.00004  -0.00008   0.00004  -0.00004   1.89864
   A77        2.26225   0.00000   0.00048   0.00036   0.00084   2.26309
   A78        2.12105  -0.00004  -0.00025  -0.00042  -0.00068   2.12037
   A79        1.86918  -0.00006  -0.00031   0.00005  -0.00026   1.86892
   A80        2.08855  -0.00001   0.00004   0.00023   0.00027   2.08882
   A81        2.32528   0.00006   0.00028  -0.00026   0.00002   2.32530
   A82        1.86894  -0.00006  -0.00036   0.00006  -0.00030   1.86864
   A83        2.32567   0.00003   0.00017  -0.00017   0.00000   2.32568
   A84        2.08837   0.00003   0.00019   0.00012   0.00032   2.08868
   A85        1.89908  -0.00001  -0.00007   0.00008   0.00000   1.89908
   A86        2.26342   0.00011   0.00070  -0.00001   0.00068   2.26410
   A87        2.11942  -0.00010  -0.00050  -0.00010  -0.00061   2.11881
   A88        1.89986   0.00002  -0.00014   0.00006  -0.00008   1.89978
   A89        2.26218  -0.00011   0.00017   0.00002   0.00020   2.26238
   A90        2.12010   0.00009   0.00002  -0.00004  -0.00002   2.12008
   A91        1.86784  -0.00007  -0.00023  -0.00003  -0.00025   1.86759
   A92        2.08795  -0.00006   0.00003  -0.00006  -0.00003   2.08792
   A93        2.32723   0.00013   0.00019   0.00010   0.00030   2.32753
   A94        1.86819  -0.00008  -0.00022  -0.00008  -0.00031   1.86789
   A95        2.32678   0.00013   0.00011   0.00029   0.00041   2.32719
   A96        2.08806  -0.00005   0.00010  -0.00019  -0.00008   2.08798
   A97        1.89931   0.00001  -0.00020   0.00021   0.00001   1.89932
   A98        2.26292  -0.00005   0.00047  -0.00048   0.00000   2.26292
   A99        2.11997   0.00004  -0.00023   0.00030   0.00006   2.12004
   A100       1.89811   0.00004  -0.00003   0.00011   0.00008   1.89819
   A101       2.26367  -0.00004   0.00012   0.00004   0.00016   2.26383
   A102       2.12028  -0.00000   0.00000  -0.00015  -0.00015   2.12014
   A103       1.86949  -0.00010  -0.00040  -0.00000  -0.00041   1.86908
   A104       2.08839  -0.00003  -0.00013   0.00009  -0.00004   2.08836
   A105       2.32515   0.00014   0.00053  -0.00007   0.00046   2.32561
   A106       1.86855  -0.00008  -0.00024  -0.00001  -0.00025   1.86830
   A107       2.32632   0.00012   0.00041  -0.00011   0.00031   2.32663
   A108       2.08811  -0.00004  -0.00017   0.00014  -0.00003   2.08808
   A109       1.89939  -0.00000  -0.00017   0.00007  -0.00011   1.89928
   A110       2.26172   0.00000   0.00019   0.00020   0.00040   2.26211
   A111       2.12084   0.00000   0.00012  -0.00026  -0.00014   2.12070
   A112       2.07947   0.00004   0.00023  -0.00005   0.00017   2.07964
   A113       2.10066  -0.00011  -0.00081   0.00004  -0.00077   2.09988
   A114       2.10303   0.00007   0.00059   0.00001   0.00061   2.10364
   A115       2.10366  -0.00004  -0.00046   0.00004  -0.00042   2.10324
   A116       2.09151   0.00008   0.00066  -0.00005   0.00061   2.09212
   A117       2.08798  -0.00004  -0.00021   0.00001  -0.00020   2.08779
   A118       2.11894   0.00008   0.00068  -0.00013   0.00056   2.11950
   A119       2.08627  -0.00000   0.00010   0.00004   0.00014   2.08641
   A120       2.07796  -0.00008  -0.00078   0.00008  -0.00070   2.07726
   A121       2.05614  -0.00002  -0.00010   0.00009  -0.00001   2.05613
   A122       2.12237   0.00001   0.00028  -0.00002   0.00026   2.12263
   A123       2.10460   0.00001  -0.00019  -0.00007  -0.00026   2.10434
   A124       2.05410  -0.00002  -0.00011   0.00027   0.00016   2.05426
   A125       2.12529  -0.00002  -0.00009   0.00010   0.00001   2.12530
   A126       2.10379   0.00004   0.00019  -0.00037  -0.00018   2.10361
   A127       2.11995   0.00006   0.00055  -0.00011   0.00045   2.12039
   A128       2.07665  -0.00007  -0.00065   0.00013  -0.00052   2.07613
   A129       2.08658   0.00001   0.00010  -0.00002   0.00008   2.08666
   A130       2.10404  -0.00003  -0.00036  -0.00005  -0.00041   2.10363
   A131       2.08768  -0.00004  -0.00025   0.00007  -0.00018   2.08750
   A132       2.09145   0.00007   0.00061  -0.00002   0.00058   2.09203
   A133       2.07834   0.00004   0.00020   0.00004   0.00024   2.07858
   A134       2.10118  -0.00011  -0.00086   0.00006  -0.00080   2.10038
   A135       2.10365   0.00007   0.00067  -0.00011   0.00056   2.10421
   A136       2.07928   0.00003   0.00016  -0.00003   0.00013   2.07941
   A137       2.10082  -0.00009  -0.00090   0.00014  -0.00076   2.10006
   A138       2.10307   0.00007   0.00074  -0.00011   0.00063   2.10370
   A139       2.10380  -0.00001  -0.00042   0.00019  -0.00024   2.10356
   A140       2.09166   0.00006   0.00065  -0.00014   0.00052   2.09217
   A141       2.08771  -0.00005  -0.00023  -0.00005  -0.00028   2.08743
   A142       2.11938   0.00006   0.00069  -0.00022   0.00047   2.11985
   A143       2.08592   0.00000   0.00020  -0.00003   0.00017   2.08609
   A144       2.07787  -0.00007  -0.00089   0.00025  -0.00064   2.07724
   A145       2.05558  -0.00007  -0.00028  -0.00004  -0.00033   2.05526
   A146       2.12185  -0.00002   0.00038  -0.00034   0.00004   2.12189
   A147       2.10571   0.00009  -0.00010   0.00038   0.00028   2.10600
   A148       2.05546  -0.00009  -0.00046   0.00016  -0.00030   2.05516
   A149       2.12164  -0.00002   0.00042  -0.00026   0.00016   2.12180
   A150       2.10605   0.00010   0.00003   0.00010   0.00013   2.10618
   A151       2.11935   0.00006   0.00072  -0.00021   0.00050   2.11985
   A152       2.07811  -0.00007  -0.00097   0.00034  -0.00062   2.07749
   A153       2.08571   0.00001   0.00025  -0.00013   0.00012   2.08583
   A154       2.10388  -0.00002  -0.00037   0.00009  -0.00028   2.10360
   A155       2.08785  -0.00005  -0.00029  -0.00002  -0.00031   2.08754
   A156       2.09143   0.00007   0.00065  -0.00007   0.00058   2.09201
   A157       2.07931   0.00002   0.00009   0.00006   0.00015   2.07946
   A158       2.10096  -0.00010  -0.00091   0.00014  -0.00077   2.10019
   A159       2.10290   0.00008   0.00083  -0.00021   0.00062   2.10352
   A160       2.07878   0.00004   0.00020   0.00001   0.00021   2.07899
   A161       2.10116  -0.00010  -0.00081   0.00008  -0.00072   2.10044
   A162       2.10322   0.00006   0.00061  -0.00010   0.00052   2.10374
   A163       2.10422  -0.00002  -0.00029   0.00002  -0.00028   2.10394
   A164       2.09131   0.00007   0.00060  -0.00006   0.00055   2.09186
   A165       2.08762  -0.00005  -0.00031   0.00004  -0.00027   2.08735
   A166       2.11918   0.00006   0.00061  -0.00014   0.00047   2.11965
   A167       2.08644  -0.00000   0.00010  -0.00003   0.00006   2.08651
   A168       2.07753  -0.00006  -0.00070   0.00017  -0.00053   2.07701
   A169       2.05477  -0.00005  -0.00040   0.00021  -0.00019   2.05458
   A170       2.12477  -0.00002   0.00018  -0.00005   0.00013   2.12490
   A171       2.10359   0.00006   0.00021  -0.00016   0.00005   2.10365
   A172       2.05529  -0.00005  -0.00034   0.00015  -0.00018   2.05510
   A173       2.12292  -0.00003   0.00012  -0.00023  -0.00010   2.12282
   A174       2.10494   0.00009   0.00021   0.00007   0.00028   2.10522
   A175       2.11954   0.00006   0.00057  -0.00015   0.00043   2.11997
   A176       2.07752  -0.00006  -0.00068   0.00019  -0.00049   2.07703
   A177       2.08612  -0.00000   0.00010  -0.00004   0.00006   2.08618
   A178       2.10360  -0.00001  -0.00029   0.00006  -0.00024   2.10337
   A179       2.08798  -0.00005  -0.00026   0.00002  -0.00024   2.08774
   A180       2.09158   0.00005   0.00055  -0.00008   0.00047   2.09205
   A181       2.07900   0.00003   0.00021  -0.00001   0.00020   2.07920
   A182       2.10071  -0.00009  -0.00077   0.00012  -0.00065   2.10006
   A183       2.10345   0.00005   0.00056  -0.00011   0.00046   2.10390
    D1        0.01320  -0.00000   0.00082  -0.00088  -0.00005   0.01315
    D2       -3.10606  -0.00002   0.00028  -0.00121  -0.00093  -3.10699
    D3       -3.12654  -0.00001  -0.00036   0.00020  -0.00016  -3.12670
    D4        0.03738  -0.00003  -0.00090  -0.00014  -0.00103   0.03635
    D5        0.00030   0.00002  -0.00122   0.00173   0.00051   0.00081
    D6       -3.11688  -0.00000  -0.00182   0.00138  -0.00046  -3.11734
    D7        3.14004   0.00003  -0.00004   0.00065   0.00061   3.14066
    D8        0.02286   0.00001  -0.00064   0.00030  -0.00036   0.02251
    D9       -2.27887   0.00013   0.00864  -0.00117   0.00748  -2.27139
   D10        0.86784   0.00013   0.00944  -0.00166   0.00778   0.87562
   D11        0.86459   0.00012   0.00746  -0.00008   0.00737   0.87196
   D12       -2.27189   0.00012   0.00826  -0.00058   0.00768  -2.26422
   D13       -0.01452  -0.00003   0.00000  -0.00076  -0.00075  -0.01527
   D14       -3.12451  -0.00011  -0.00118  -0.00232  -0.00347  -3.12798
   D15        3.10403  -0.00001   0.00059  -0.00042   0.00016   3.10419
   D16       -0.00596  -0.00009  -0.00060  -0.00198  -0.00256  -0.00852
   D17        0.00266   0.00004  -0.00043   0.00155   0.00111   0.00377
   D18        3.13114   0.00007   0.00094   0.00203   0.00297   3.13411
   D19        3.11345   0.00012   0.00072   0.00306   0.00375   3.11720
   D20       -0.04126   0.00015   0.00209   0.00354   0.00561  -0.03565
   D21       -3.14067   0.00002   0.00381  -0.00099   0.00282  -3.13784
   D22        0.00022  -0.00005   0.00115  -0.00145  -0.00031  -0.00009
   D23        0.03297  -0.00007   0.00261  -0.00255   0.00008   0.03305
   D24       -3.10933  -0.00013  -0.00005  -0.00302  -0.00305  -3.11238
   D25        0.01060  -0.00002   0.00004  -0.00072  -0.00068   0.00992
   D26        3.13015  -0.00000   0.00045  -0.00061  -0.00015   3.12999
   D27       -3.11795  -0.00005  -0.00132  -0.00120  -0.00252  -3.12047
   D28        0.00160  -0.00004  -0.00090  -0.00109  -0.00200  -0.00040
   D29       -0.00898  -0.00003  -0.00162  -0.00035  -0.00200  -0.01098
   D30       -3.13920  -0.00002  -0.00193  -0.00092  -0.00295   3.14104
   D31        3.11950   0.00000  -0.00026   0.00013  -0.00015   3.11935
   D32       -0.01072   0.00001  -0.00057  -0.00044  -0.00110  -0.01181
   D33       -0.01210  -0.00001   0.00080  -0.00094  -0.00015  -0.01225
   D34        3.10486   0.00001   0.00144  -0.00059   0.00083   3.10569
   D35       -3.13112  -0.00003   0.00036  -0.00105  -0.00069  -3.13181
   D36       -0.01416  -0.00001   0.00100  -0.00070   0.00029  -0.01387
   D37        0.02607  -0.00015  -0.00766  -0.00168  -0.00931   0.01676
   D38       -3.10652  -0.00018  -0.00724  -0.00155  -0.00879  -3.11531
   D39       -3.11483  -0.00009  -0.00505  -0.00123  -0.00627  -3.12110
   D40        0.03576  -0.00012  -0.00464  -0.00110  -0.00574   0.03002
   D41        3.11394   0.00013   0.00405   0.00192   0.00597   3.11991
   D42       -0.04931   0.00006   0.00346   0.00057   0.00402  -0.04528
   D43       -0.02834   0.00007   0.00143   0.00147   0.00291  -0.02543
   D44        3.09160  -0.00001   0.00084   0.00011   0.00096   3.09256
   D45       -0.07696   0.00027   0.00812   0.00483   0.01292  -0.06404
   D46        3.07937   0.00015   0.00693   0.00382   0.01073   3.09009
   D47        3.05541   0.00030   0.00768   0.00472   0.01238   3.06779
   D48       -0.07146   0.00018   0.00649   0.00371   0.01019  -0.06126
   D49       -0.01753   0.00008   0.00352   0.00024   0.00378  -0.01375
   D50        3.12789  -0.00001  -0.00271   0.00060  -0.00211   3.12578
   D51        3.13329   0.00005   0.00396   0.00036   0.00431   3.13760
   D52       -0.00448  -0.00005  -0.00228   0.00072  -0.00157  -0.00605
   D53        0.06888  -0.00018  -0.00349  -0.00388  -0.00734   0.06155
   D54       -3.08454  -0.00019  -0.00317  -0.00326  -0.00634  -3.09089
   D55       -3.08667  -0.00008  -0.00229  -0.00296  -0.00528  -3.09195
   D56        0.04309  -0.00009  -0.00197  -0.00235  -0.00429   0.03880
   D57        3.09409   0.00007  -0.00018   0.00141   0.00119   3.09529
   D58       -0.14916   0.00010   0.01235   0.00300   0.01539  -0.13377
   D59       -0.19850   0.00042   0.02388   0.00497   0.02915  -0.16935
   D60       -0.03324  -0.00004  -0.00137   0.00044  -0.00093  -0.03417
   D61        3.00669  -0.00001   0.01115   0.00203   0.01327   3.01996
   D62        2.95735   0.00031   0.02268   0.00399   0.02703   2.98438
   D63        3.11417   0.00009   0.00277   0.00217   0.00497   3.11914
   D64       -0.01573   0.00010   0.00245   0.00158   0.00400  -0.01173
   D65        0.00173   0.00003   0.00294  -0.00090   0.00203   0.00376
   D66       -3.13619   0.00000   0.00119   0.00010   0.00129  -3.13489
   D67       -3.11878   0.00010   0.00352   0.00042   0.00394  -3.11484
   D68        0.02649   0.00007   0.00177   0.00143   0.00320   0.02968
   D69        0.01761  -0.00007  -0.00412   0.00000  -0.00412   0.01349
   D70       -3.10069  -0.00005  -0.00241   0.00057  -0.00184  -3.10254
   D71       -3.12767  -0.00004  -0.00237  -0.00101  -0.00338  -3.13105
   D72        0.03721  -0.00002  -0.00066  -0.00044  -0.00110   0.03611
   D73       -2.31435  -0.00001   0.00502  -0.00277   0.00226  -2.31209
   D74        0.82009  -0.00001   0.00453  -0.00320   0.00133   0.82143
   D75        0.83097  -0.00005   0.00325  -0.00175   0.00151   0.83247
   D76       -2.31778  -0.00004   0.00276  -0.00218   0.00058  -2.31720
   D77       -0.00952   0.00002   0.00091   0.00030   0.00121  -0.00831
   D78        3.12833   0.00011   0.00701  -0.00005   0.00696   3.13529
   D79        3.10886  -0.00000  -0.00078  -0.00026  -0.00104   3.10782
   D80       -0.03647   0.00009   0.00533  -0.00062   0.00471  -0.03176
   D81       -0.00113   0.00016   0.00398   0.00197   0.00591   0.00478
   D82        3.13704   0.00020   0.00499   0.00211   0.00701  -3.13914
   D83       -3.05007   0.00008  -0.00789   0.00040  -0.00738  -3.05745
   D84        0.08810   0.00013  -0.00689   0.00053  -0.00628   0.08182
   D85       -3.01935  -0.00027  -0.01749  -0.00084  -0.01793  -3.03728
   D86        0.11882  -0.00023  -0.01648  -0.00070  -0.01683   0.10199
   D87        0.03017  -0.00015  -0.00348  -0.00283  -0.00622   0.02395
   D88       -3.10851  -0.00007  -0.00169  -0.00193  -0.00361  -3.11212
   D89       -3.10803  -0.00020  -0.00446  -0.00297  -0.00731  -3.11535
   D90        0.03647  -0.00012  -0.00267  -0.00207  -0.00471   0.03177
   D91        3.12881   0.00004   0.00116   0.00098   0.00213   3.13095
   D92       -0.04165   0.00009   0.00323   0.00172   0.00497  -0.03668
   D93       -0.01627   0.00009   0.00218   0.00112   0.00325  -0.01302
   D94        3.09646   0.00013   0.00425   0.00186   0.00609   3.10254
   D95       -0.02104   0.00003   0.00027   0.00104   0.00129  -0.01975
   D96        3.11763  -0.00005  -0.00152   0.00014  -0.00132   3.11630
   D97       -0.02848   0.00007   0.00142   0.00148   0.00288  -0.02560
   D98        3.09940   0.00003   0.00075   0.00064   0.00139   3.10079
   D99        3.11599   0.00015   0.00319   0.00237   0.00546   3.12145
   D100      -0.03931   0.00011   0.00252   0.00152   0.00397  -0.03534
   D101      -0.01190  -0.00001  -0.00045   0.00041  -0.00000  -0.01190
   D102       3.10430   0.00001   0.00077  -0.00004   0.00075   3.10506
   D103      -3.12355  -0.00006  -0.00255  -0.00038  -0.00292  -3.12647
   D104      -0.00735  -0.00004  -0.00133  -0.00083  -0.00217  -0.00952
   D105       0.01988  -0.00004  -0.00082  -0.00099  -0.00180   0.01808
   D106       3.13868  -0.00001   0.00068  -0.00099  -0.00032   3.13836
   D107      -3.09656  -0.00006  -0.00203  -0.00054  -0.00255  -3.09911
   D108       0.02224  -0.00003  -0.00053  -0.00054  -0.00107   0.02117
   D109       0.00096   0.00001   0.00033   0.00001   0.00032   0.00128
   D110      -3.12643   0.00005   0.00102   0.00089   0.00186  -3.12457
   D111      -3.11743  -0.00002  -0.00120   0.00001  -0.00119  -3.11863
   D112       0.03836   0.00002  -0.00051   0.00089   0.00035   0.03871
   D113      -2.28762   0.00004   0.00599  -0.00139   0.00461  -2.28301
   D114       0.84712   0.00004   0.00580  -0.00112   0.00469   0.85181
   D115       0.83088   0.00007   0.00752  -0.00139   0.00612   0.83701
   D116      -2.31757   0.00007   0.00733  -0.00112   0.00620  -2.31137
   D117      -3.13761  -0.00001   0.00000   0.00016   0.00016  -3.13745
   D118       0.05350  -0.00006  -0.00149  -0.00079  -0.00230   0.05119
   D119      -0.00037  -0.00001  -0.00068   0.00059  -0.00010  -0.00047
   D120      -3.09246  -0.00006  -0.00217  -0.00037  -0.00256  -3.09502
   D121       3.13540   0.00000   0.00000  -0.00015  -0.00015   3.13525
   D122       0.04179  -0.00004  -0.00126  -0.00087  -0.00214   0.03965
   D123      -0.00182   0.00001   0.00068  -0.00058   0.00011  -0.00171
   D124      -3.09543  -0.00003  -0.00057  -0.00130  -0.00188  -3.09731
   D125       3.13213  -0.00000  -0.00110   0.00032  -0.00078   3.13135
   D126       0.04346  -0.00004  -0.00422   0.00075  -0.00347   0.03998
   D127      -0.00338  -0.00000  -0.00068   0.00069   0.00001  -0.00337
   D128      -3.09205  -0.00004  -0.00379   0.00112  -0.00268  -3.09473
   D129      -3.13510   0.00000   0.00095  -0.00018   0.00076  -3.13434
   D130       0.06101  -0.00001  -0.00129   0.00038  -0.00091   0.06010
   D131       0.00038   0.00000   0.00052  -0.00055  -0.00003   0.00035
   D132      -3.08670  -0.00001  -0.00171   0.00001  -0.00171  -3.08840
   D133       3.12825   0.00000   0.00033   0.00001   0.00034   3.12859
   D134       0.03805  -0.00003  -0.00172  -0.00010  -0.00183   0.03622
   D135      -0.00747  -0.00000   0.00050  -0.00023   0.00027  -0.00720
   D136      -3.09767  -0.00003  -0.00155  -0.00034  -0.00190  -3.09957
   D137      -3.13088  -0.00001  -0.00047   0.00011  -0.00037  -3.13124
   D138       0.06448  -0.00006  -0.00352  -0.00013  -0.00365   0.06083
   D139       0.00488  -0.00000  -0.00064   0.00034  -0.00030   0.00458
   D140      -3.08295  -0.00006  -0.00368   0.00011  -0.00359  -3.08653
   D141       0.00498   0.00001   0.00056  -0.00056   0.00001   0.00499
   D142      -3.11932  -0.00003  -0.00011  -0.00129  -0.00140  -3.12072
   D143       3.09875   0.00004   0.00342  -0.00092   0.00249   3.10124
   D144      -0.02555   0.00000   0.00274  -0.00165   0.00109  -0.02446
   D145       3.10993   0.00003   0.00069   0.00083   0.00152   3.11145
   D146      -0.02693   0.00006   0.00100   0.00161   0.00262  -0.02431
   D147       0.02712  -0.00002  -0.00279   0.00129  -0.00149   0.02562
   D148      -3.10974   0.00001  -0.00248   0.00208  -0.00040  -3.11014
   D149      -0.00468  -0.00000  -0.00024   0.00022  -0.00002  -0.00471
   D150       3.11401   0.00004   0.00025   0.00114   0.00139   3.11540
   D151       3.11629   0.00004   0.00057   0.00109   0.00165   3.11794
   D152      -0.04821   0.00008   0.00106   0.00202   0.00307  -0.04514
   D153       0.00611   0.00001  -0.00108   0.00088  -0.00019   0.00591
   D154       3.14137   0.00002   0.00006   0.00042   0.00049  -3.14133
   D155      -3.11280  -0.00004  -0.00197  -0.00008  -0.00204  -3.11483
   D156       0.02246  -0.00003  -0.00082  -0.00054  -0.00135   0.02111
   D157       0.00267   0.00000  -0.00017   0.00020   0.00003   0.00271
   D158       3.09510   0.00002   0.00190  -0.00030   0.00159   3.09669
   D159      -3.11972  -0.00003  -0.00058  -0.00057  -0.00115  -3.12087
   D160      -0.02730  -0.00001   0.00149  -0.00108   0.00041  -0.02689
   D161      -3.10959  -0.00003  -0.00119  -0.00033  -0.00152  -3.11111
   D162       0.02430  -0.00002  -0.00036  -0.00070  -0.00106   0.02324
   D163       0.00681   0.00002  -0.00066   0.00069   0.00003   0.00684
   D164       3.14070   0.00002   0.00018   0.00032   0.00050   3.14120
   D165       3.10904   0.00001   0.00080   0.00021   0.00102   3.11005
   D166      -0.01955   0.00004   0.00206   0.00053   0.00260  -0.01695
   D167       0.02794  -0.00000  -0.00170   0.00083  -0.00087   0.02707
   D168      -3.10065   0.00003  -0.00045   0.00116   0.00071  -3.09993
   D169       0.00235   0.00001   0.00041  -0.00037   0.00005   0.00240
   D170      -3.12254  -0.00002   0.00031  -0.00118  -0.00087  -3.12341
   D171       3.09923   0.00005   0.00179   0.00050   0.00229   3.10151
   D172      -0.02566   0.00002   0.00169  -0.00031   0.00136  -0.02430
   D173       3.11285   0.00003   0.00019   0.00108   0.00129   3.11414
   D174      -0.01931   0.00004   0.00089   0.00105   0.00195  -0.01736
   D175       0.02620  -0.00002  -0.00148   0.00002  -0.00145   0.02475
   D176      -3.10596  -0.00002  -0.00077  -0.00002  -0.00079  -3.10675
   D177      -0.00341  -0.00001   0.00001   0.00001   0.00001  -0.00340
   D178       3.11923   0.00002  -0.00015   0.00113   0.00098   3.12021
   D179       3.11821   0.00003   0.00015   0.00098   0.00111   3.11933
   D180      -0.04233   0.00006  -0.00001   0.00210   0.00208  -0.04025
   D181       0.00689  -0.00000  -0.00102   0.00047  -0.00055   0.00634
   D182       3.14154   0.00001   0.00014   0.00004   0.00019  -3.14145
   D183      -3.11273  -0.00004  -0.00117  -0.00060  -0.00176  -3.11449
   D184       0.02192  -0.00003  -0.00000  -0.00102  -0.00102   0.02090
   D185       0.00323  -0.00000  -0.00042   0.00034  -0.00007   0.00316
   D186       3.10153   0.00003   0.00075   0.00097   0.00172   3.10324
   D187      -3.12249  -0.00003  -0.00029  -0.00060  -0.00089  -3.12338
   D188      -0.02420   0.00000   0.00089   0.00003   0.00091  -0.02330
   D189      -3.11419  -0.00003  -0.00039  -0.00096  -0.00134  -3.11553
   D190       0.02101  -0.00002   0.00043  -0.00111  -0.00068   0.02033
   D191       0.00656   0.00001  -0.00056   0.00027  -0.00028   0.00628
   D192      -3.14143   0.00001   0.00025   0.00013   0.00038  -3.14105
   D193       3.11261   0.00003   0.00053   0.00058   0.00112   3.11373
   D194      -0.01907   0.00004   0.00102   0.00071   0.00174  -0.01733
   D195       0.02426  -0.00001  -0.00088  -0.00021  -0.00109   0.02317
   D196      -3.10742  -0.00000  -0.00038  -0.00008  -0.00046  -3.10788
   D197       0.00709   0.00000  -0.00017   0.00003  -0.00014   0.00695
   D198      -3.11823  -0.00003  -0.00030  -0.00069  -0.00099  -3.11922
   D199       3.10232   0.00003   0.00169   0.00014   0.00183   3.10415
   D200      -0.02300   0.00000   0.00157  -0.00058   0.00098  -0.02203
   D201       3.10663   0.00002   0.00063   0.00050   0.00114   3.10777
   D202      -0.02557   0.00004   0.00133   0.00068   0.00202  -0.02355
   D203       0.02211  -0.00002  -0.00165   0.00037  -0.00127   0.02084
   D204      -3.11010  -0.00000  -0.00095   0.00055  -0.00039  -3.11049
   D205      -0.00405  -0.00001  -0.00022   0.00018  -0.00005  -0.00409
   D206       3.11466   0.00004   0.00061   0.00122   0.00182   3.11649
   D207       3.11814   0.00003  -0.00007   0.00104   0.00096   3.11910
   D208      -0.04633   0.00008   0.00076   0.00209   0.00283  -0.04350
   D209       0.00664   0.00001  -0.00071   0.00048  -0.00023   0.00642
   D210       3.14106   0.00001   0.00009   0.00021   0.00030   3.14136
   D211      -3.11361  -0.00003  -0.00087  -0.00046  -0.00133  -3.11494
   D212       0.02081  -0.00002  -0.00007  -0.00074  -0.00081   0.02000
   D213      -0.00048   0.00001   0.00053  -0.00032   0.00022  -0.00026
   D214       3.09251   0.00006   0.00330  -0.00009   0.00321   3.09572
   D215      -3.12291  -0.00004  -0.00016  -0.00120  -0.00136  -3.12426
   D216      -0.02992   0.00001   0.00261  -0.00097   0.00163  -0.02828
   D217      -3.10941  -0.00005  -0.00209  -0.00048  -0.00256  -3.11198
   D218       0.02498  -0.00004  -0.00087  -0.00093  -0.00180   0.02318
   D219       0.00700   0.00000  -0.00118   0.00067  -0.00051   0.00650
   D220       3.14140   0.00001   0.00003   0.00022   0.00025  -3.14153
   D221       3.11409   0.00004   0.00088   0.00092   0.00181   3.11589
   D222      -0.01656   0.00004   0.00084   0.00132   0.00217  -0.01439
   D223       0.03220  -0.00003  -0.00250   0.00065  -0.00185   0.03035
   D224      -3.09844  -0.00002  -0.00254   0.00105  -0.00149  -3.09993
   D225       0.01181   0.00000   0.00012  -0.00010   0.00002   0.01183
   D226      -3.13902  -0.00000  -0.00067   0.00010  -0.00057  -3.13959
   D227      -3.12207  -0.00000  -0.00071   0.00027  -0.00044  -3.12252
   D228       0.01029  -0.00001  -0.00150   0.00046  -0.00103   0.00925
   D229      -0.01089  -0.00002  -0.00037  -0.00014  -0.00051  -0.01140
   D230       3.12426   0.00001   0.00050  -0.00000   0.00050   3.12476
   D231       3.13991  -0.00002   0.00041  -0.00033   0.00008   3.13999
   D232      -0.00812   0.00002   0.00128  -0.00019   0.00109  -0.00703
   D233      -0.00895   0.00002   0.00114  -0.00023   0.00091  -0.00805
   D234       3.11977  -0.00001  -0.00011  -0.00055  -0.00065   3.11912
   D235       3.13904  -0.00001   0.00026  -0.00036  -0.00010   3.13894
   D236      -0.01542  -0.00005  -0.00098  -0.00068  -0.00166  -0.01708
   D237      -0.01013   0.00002   0.00126  -0.00021   0.00105  -0.00908
   D238       3.13555  -0.00001   0.00027  -0.00029  -0.00002   3.13554
   D239       3.12679  -0.00001   0.00095  -0.00099  -0.00003   3.12676
   D240      -0.01071  -0.00004  -0.00004  -0.00106  -0.00110  -0.01181
   D241      -0.00862  -0.00001   0.00031  -0.00052  -0.00021  -0.00884
   D242       3.13942  -0.00001   0.00066  -0.00025   0.00040   3.13982
   D243       3.12886   0.00001   0.00130  -0.00045   0.00086   3.12971
   D244      -0.00629   0.00002   0.00165  -0.00017   0.00147  -0.00482
   D245       0.01053  -0.00000  -0.00040   0.00018  -0.00023   0.01030
   D246      -3.12472  -0.00001  -0.00154   0.00064  -0.00091  -3.12563
   D247      -3.13753  -0.00001  -0.00075  -0.00010  -0.00085  -3.13837
   D248       0.01041  -0.00002  -0.00189   0.00037  -0.00153   0.00888
   D249       0.00992  -0.00000   0.00027  -0.00039  -0.00013   0.00979
   D250      -3.13860  -0.00000  -0.00036  -0.00001  -0.00037  -3.13897
   D251      -3.12526  -0.00001  -0.00054  -0.00024  -0.00079  -3.12605
   D252       0.00940  -0.00001  -0.00117   0.00013  -0.00103   0.00837
   D253      -0.00963  -0.00001  -0.00028   0.00021  -0.00008  -0.00971
   D254       3.12737   0.00002   0.00051   0.00029   0.00080   3.12817
   D255       3.13887  -0.00001   0.00034  -0.00017   0.00017   3.13904
   D256      -0.00731   0.00002   0.00113  -0.00009   0.00104  -0.00627
   D257      -0.00744   0.00002   0.00057   0.00010   0.00067  -0.00677
   D258       3.12434   0.00000   0.00008  -0.00003   0.00005   3.12439
   D259       3.13872  -0.00001  -0.00022   0.00002  -0.00020   3.13852
   D260      -0.01269  -0.00002  -0.00071  -0.00011  -0.00082  -0.01350
   D261      -0.00880   0.00002   0.00064   0.00012   0.00076  -0.00803
   D262       3.13919  -0.00001  -0.00015  -0.00013  -0.00027   3.13891
   D263       3.12345   0.00001  -0.00006   0.00016   0.00011   3.12356
   D264      -0.01175  -0.00002  -0.00084  -0.00009  -0.00093  -0.01268
   D265      -0.00934  -0.00000  -0.00002   0.00004   0.00001  -0.00933
   D266       3.14037  -0.00001   0.00024  -0.00012   0.00011   3.14048
   D267       3.12584   0.00003   0.00076   0.00029   0.00104   3.12689
   D268      -0.00764   0.00002   0.00102   0.00013   0.00115  -0.00649
   D269       0.01015  -0.00001   0.00021  -0.00033  -0.00012   0.01003
   D270      -3.12449  -0.00002  -0.00095   0.00009  -0.00085  -3.12535
   D271      -3.13958   0.00000  -0.00005  -0.00018  -0.00023  -3.13980
   D272       0.00897  -0.00001  -0.00121   0.00025  -0.00096   0.00801
   D273       0.01220  -0.00001  -0.00024  -0.00009  -0.00033   0.01186
   D274      -3.13897  -0.00000  -0.00029  -0.00020  -0.00049  -3.13946
   D275      -3.12219  -0.00002  -0.00145   0.00036  -0.00109  -3.12328
   D276       0.00983  -0.00001  -0.00150   0.00025  -0.00125   0.00858
   D277      -0.00951  -0.00001   0.00031  -0.00022   0.00009  -0.00942
   D278       3.12407   0.00003   0.00138  -0.00013   0.00125   3.12532
   D279      -3.14155  -0.00001   0.00035  -0.00011   0.00024  -3.14131
   D280      -0.00798   0.00002   0.00143  -0.00002   0.00141  -0.00657
   D281      -0.01259   0.00002   0.00104  -0.00006   0.00099  -0.01160
   D282       3.11819   0.00001   0.00108  -0.00045   0.00063   3.11882
   D283       3.13698  -0.00001  -0.00003  -0.00015  -0.00018   3.13680
   D284      -0.01542  -0.00002   0.00000  -0.00054  -0.00054  -0.01596
   D285      -0.00557   0.00002   0.00094  -0.00008   0.00086  -0.00471
   D286       3.13998  -0.00001   0.00010  -0.00009   0.00001   3.13999
   D287       3.12674   0.00000   0.00024  -0.00026  -0.00002   3.12672
   D288      -0.01089  -0.00002  -0.00059  -0.00027  -0.00086  -0.01176
   D289      -0.01027  -0.00001  -0.00014  -0.00001  -0.00015  -0.01042
   D290       3.13849  -0.00001   0.00028  -0.00016   0.00012   3.13861
   D291       3.12734   0.00002   0.00070   0.00001   0.00070   3.12805
   D292      -0.00708   0.00001   0.00111  -0.00014   0.00097  -0.00612
   D293       0.00956  -0.00001   0.00002  -0.00019  -0.00018   0.00938
   D294      -3.12485  -0.00001  -0.00078   0.00008  -0.00070  -3.12555
   D295      -3.13922  -0.00000  -0.00040  -0.00005  -0.00045  -3.13967
   D296       0.00956  -0.00001  -0.00119   0.00023  -0.00097   0.00859
         Item               Value     Threshold  Converged?
 Maximum Force            0.001007     0.000450     NO 
 RMS     Force            0.000138     0.000300     YES
 Maximum Displacement     0.126148     0.001800     NO 
 RMS     Displacement     0.019664     0.001200     NO 
 Predicted change in Energy=-2.240926D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.040441    2.960808    0.101151
      2          6           0       -2.310822    1.594989    0.044528
      3          6           0       -1.277979    0.640261    0.014313
      4          6           0        0.059187    1.101964    0.023946
      5          6           0        0.322830    2.484415    0.067536
      6          6           0       -0.704214    3.406349    0.113077
      7          6           0       -1.550163   -0.805046   -0.062492
      8          6           0       -0.477877   -1.745974   -0.086742
      9          6           0        0.887903   -1.264941   -0.013661
     10          6           0        1.167074    0.152329    0.003107
     11          6           0       -2.864235   -1.292880   -0.108988
     12          6           0       -3.141725   -2.657380   -0.207565
     13          6           0       -2.076537   -3.574449   -0.257596
     14          6           0       -0.772960   -3.124326   -0.193208
     15          7           0        1.943107   -2.098742    0.026850
     16          6           0        3.228176   -1.643615    0.042165
     17          6           0        3.445757   -0.234009    0.019937
     18          7           0        2.404041    0.627664    0.012413
     19          6           0        4.328234   -2.535988    0.081966
     20          6           0        5.601194   -2.019086    0.082944
     21          6           0        5.839359   -0.611341    0.030508
     22          6           0        4.770252    0.264627   -0.001172
     23          7           0       -3.100615    3.892423    0.148435
     24          7           0       -4.475359   -3.106549   -0.259697
     25          7           0        7.165436   -0.136825    0.038064
     26          6           0       -5.018495   -4.156443    0.504888
     27          6           0       -6.389523   -4.296267    0.178616
     28          6           0       -6.691464   -3.298400   -0.827336
     29          6           0       -5.494740   -2.581336   -1.073998
     30          6           0       -3.237090    5.022516   -0.674696
     31          6           0       -4.425351    5.707533   -0.318521
     32          6           0       -5.033180    4.965234    0.766658
     33          6           0       -4.195398    3.852863    1.028699
     34          6           0        7.677906    0.876537    0.869151
     35          6           0        9.054444    1.048274    0.582247
     36          6           0        9.390401    0.110295   -0.469680
     37          6           0        8.207844   -0.603584   -0.782650
     38          6           0       -7.851242   -2.976372   -1.540277
     39          6           0       -7.803758   -1.958341   -2.488185
     40          6           0       -6.604514   -1.271775   -2.737373
     41          6           0       -5.435548   -1.574186   -2.041192
     42          6           0       -4.417860   -4.947122    1.488292
     43          6           0       -5.207605   -5.905500    2.120691
     44          6           0       -6.563737   -6.069828    1.794689
     45          6           0       -7.161376   -5.264745    0.829757
     46          6           0       -6.186710    5.158816    1.534886
     47          6           0       -6.484484    4.254732    2.549963
     48          6           0       -5.633401    3.167871    2.809661
     49          6           0       -4.478802    2.952909    2.059654
     50          6           0       -2.432493    5.458089   -1.731331
     51          6           0       -2.820759    6.611761   -2.409762
     52          6           0       -3.985171    7.313283   -2.056178
     53          6           0       -4.793510    6.863038   -1.016678
     54          6           0       10.569165   -0.161651   -1.172403
     55          6           0       10.552753   -1.127382   -2.174547
     56          6           0        9.366667   -1.810825   -2.487762
     57          6           0        8.178668   -1.556153   -1.804840
     58          6           0        7.046202    1.608194    1.877821
     59          6           0        7.810661    2.537102    2.581573
     60          6           0        9.171699    2.732836    2.296467
     61          6           0        9.799721    1.988013    1.302674
     62          1           0       -3.347724    1.290292    0.003836
     63          1           0        1.356249    2.808497    0.084999
     64          1           0       -0.491334    4.467072    0.179880
     65          1           0       -3.702722   -0.613416   -0.046886
     66          1           0       -2.274892   -4.633723   -0.370572
     67          1           0        0.026669   -3.859629   -0.228456
     68          1           0        1.855771   -3.215388    0.132579
     69          1           0        4.133824   -3.603195    0.135361
     70          1           0        6.451620   -2.688278    0.147544
     71          1           0        4.913553    1.336610   -0.056763
     72          1           0       -8.774214   -3.519533   -1.359809
     73          1           0       -8.697212   -1.697645   -3.046684
     74          1           0       -6.581407   -0.490903   -3.491432
     75          1           0       -4.512607   -1.049521   -2.259428
     76          1           0       -3.376496   -4.824429    1.761707
     77          1           0       -4.760199   -6.534839    2.883857
     78          1           0       -7.150067   -6.827136    2.305446
     79          1           0       -8.213679   -5.381425    0.587770
     80          1           0       -6.837080    6.007289    1.343392
     81          1           0       -7.377443    4.392133    3.151506
     82          1           0       -5.874847    2.479440    3.613826
     83          1           0       -3.822731    2.118941    2.281452
     84          1           0       -1.540350    4.917304   -2.025595
     85          1           0       -2.209462    6.970184   -3.232506
     86          1           0       -4.258783    8.209223   -2.604455
     87          1           0       -5.701763    7.397075   -0.753182
     88          1           0       11.482497    0.378801   -0.941846
     89          1           0       11.460926   -1.349332   -2.725943
     90          1           0        9.368747   -2.550207   -3.282770
     91          1           0        7.266792   -2.077309   -2.072962
     92          1           0        6.000200    1.458493    2.118471
     93          1           0        7.339876    3.118042    3.368841
     94          1           0        9.738050    3.466401    2.861494
     95          1           0       10.855783    2.128460    1.091878
     96         17           0        2.012975   -4.992606    0.370976
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462025           0.0189505           0.0145318
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7844.5762419021 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.52D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000096    0.000046    0.000050 Ang=  -0.01 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58781095     A.U. after   11 cycles
            NFock= 11  Conv=0.80D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000757091   -0.000217928   -0.000022533
      2        6           0.000076072    0.000047237   -0.000133238
      3        6          -0.000020085    0.000020448   -0.000076349
      4        6           0.000069191    0.000019522    0.000067235
      5        6          -0.000029935   -0.000103563    0.000034925
      6        6          -0.000273749   -0.000109760    0.000058247
      7        6           0.000189215   -0.000186563   -0.000045894
      8        6          -0.000374886   -0.000114044    0.000203302
      9        6           0.000553158    0.000538153   -0.000640082
     10        6          -0.000108907   -0.000431532   -0.000138566
     11        6          -0.000043713   -0.000141621   -0.000040631
     12        6           0.000406191    0.000407902    0.000077887
     13        6          -0.000004269   -0.000021026   -0.000029422
     14        6           0.000003118    0.000215184    0.000360285
     15        7          -0.000901882   -0.000049906    0.000710726
     16        6           0.000603277   -0.000501031    0.000140548
     17        6          -0.000045418   -0.000008103    0.000013489
     18        7           0.000008421    0.000071395    0.000007946
     19        6          -0.000341840    0.000349300   -0.000008809
     20        6           0.000010140    0.000090533    0.000065313
     21        6          -0.000632896   -0.000381709   -0.000072482
     22        6           0.000252516   -0.000025713    0.000016494
     23        7          -0.000336298    0.000199090   -0.000011012
     24        7          -0.000011353   -0.000228087    0.000077761
     25        7           0.000417332    0.000238313    0.000090400
     26        6          -0.000099302   -0.000182359    0.000045515
     27        6          -0.000017139    0.000065860    0.000194537
     28        6           0.000120142    0.000000474   -0.000179978
     29        6          -0.000337256    0.000061336   -0.000150801
     30        6          -0.000175721    0.000103964   -0.000238087
     31        6           0.000005859   -0.000119026   -0.000158540
     32        6           0.000065992    0.000064449    0.000161136
     33        6          -0.000097001    0.000119661    0.000197251
     34        6           0.000079296    0.000042373    0.000103133
     35        6           0.000019101   -0.000098198    0.000157453
     36        6          -0.000098668    0.000078408   -0.000162422
     37        6           0.000110090    0.000062752   -0.000161057
     38        6           0.000064788    0.000116925    0.000076135
     39        6           0.000175535    0.000050778    0.000017781
     40        6          -0.000119268   -0.000145929    0.000006113
     41        6          -0.000009651   -0.000089710    0.000093465
     42        6          -0.000066977    0.000057798   -0.000157357
     43        6          -0.000186012   -0.000046612   -0.000037711
     44        6           0.000141617    0.000118495    0.000010115
     45        6           0.000142070    0.000041723   -0.000076669
     46        6           0.000087987   -0.000128878   -0.000060843
     47        6           0.000184034   -0.000060299   -0.000020636
     48        6          -0.000131319    0.000121299   -0.000014140
     49        6          -0.000006278    0.000045108   -0.000111449
     50        6          -0.000075103   -0.000057080    0.000191127
     51        6          -0.000165021    0.000035784    0.000029101
     52        6           0.000138108   -0.000121800    0.000015342
     53        6           0.000153543   -0.000005413    0.000054606
     54        6          -0.000070242   -0.000149423    0.000048350
     55        6          -0.000168017   -0.000054271    0.000021473
     56        6           0.000107445    0.000121823    0.000030118
     57        6           0.000024858    0.000072941    0.000146591
     58        6           0.000087401    0.000008650   -0.000098617
     59        6           0.000151187    0.000030658   -0.000027656
     60        6          -0.000116748   -0.000130947   -0.000031976
     61        6          -0.000150192   -0.000010887   -0.000055538
     62        1          -0.000056455   -0.000004190   -0.000016575
     63        1           0.000035441   -0.000031705   -0.000007479
     64        1          -0.000095794    0.000049246    0.000001383
     65        1          -0.000054787    0.000024591    0.000003511
     66        1          -0.000089240   -0.000032338    0.000064318
     67        1          -0.000104111   -0.000063389   -0.000033648
     68        1           0.000120251    0.000214789   -0.000407628
     69        1           0.000084854    0.000007805   -0.000075368
     70        1           0.000024091    0.000033079   -0.000044594
     71        1          -0.000016855    0.000022630    0.000037690
     72        1           0.000002968   -0.000021404   -0.000002002
     73        1          -0.000013665    0.000024900    0.000001925
     74        1          -0.000014869    0.000015191    0.000002635
     75        1           0.000027721   -0.000018989    0.000009970
     76        1           0.000034325    0.000071368    0.000013442
     77        1           0.000012740   -0.000008212   -0.000004921
     78        1           0.000010653   -0.000020601   -0.000000537
     79        1          -0.000016643    0.000012164   -0.000002665
     80        1          -0.000006995    0.000014191    0.000009372
     81        1          -0.000010041   -0.000016173    0.000005284
     82        1          -0.000024917   -0.000008161    0.000003139
     83        1           0.000029180    0.000025737   -0.000036478
     84        1           0.000076985   -0.000067183    0.000042188
     85        1           0.000004504    0.000016726    0.000002848
     86        1           0.000009619    0.000016889   -0.000006331
     87        1          -0.000016623   -0.000011028    0.000001088
     88        1          -0.000001984    0.000021742   -0.000001215
     89        1           0.000009479   -0.000015341   -0.000005667
     90        1           0.000014147   -0.000011006    0.000002859
     91        1          -0.000057400   -0.000001319    0.000013746
     92        1          -0.000030464   -0.000047044   -0.000031589
     93        1          -0.000000410    0.000015752    0.000000482
     94        1          -0.000011580    0.000017474    0.000002564
     95        1           0.000014860   -0.000004765    0.000002674
     96       17           0.000121389    0.000081652   -0.000105822
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000901882 RMS     0.000164531

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000398610 RMS     0.000080320
 Search for a local minimum.
 Step number  17 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15   16
                                                     17
 DE= -8.99D-05 DEPred=-2.24D-05 R= 4.01D+00
 TightC=F SS=  1.41D+00  RLast= 7.53D-02 DXNew= 5.0454D+00 2.2590D-01
 Trust test= 4.01D+00 RLast= 7.53D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00408   0.00974   0.01775   0.02346   0.02710
     Eigenvalues ---    0.02716   0.02727   0.02733   0.02745   0.02749
     Eigenvalues ---    0.02752   0.02756   0.02770   0.02777   0.02787
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02793   0.02794
     Eigenvalues ---    0.02796   0.02803   0.02815   0.02816   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02823   0.02828
     Eigenvalues ---    0.02832   0.02835   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02847   0.02851
     Eigenvalues ---    0.02857   0.02858   0.02863   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02896   0.02897   0.02898   0.02899
     Eigenvalues ---    0.02899   0.02902   0.02904   0.02909   0.02910
     Eigenvalues ---    0.02928   0.02929   0.02934   0.02944   0.02946
     Eigenvalues ---    0.02963   0.03003   0.03023   0.03033   0.03093
     Eigenvalues ---    0.03126   0.03128   0.03134   0.03142   0.03150
     Eigenvalues ---    0.03254   0.03436   0.03708   0.05574   0.11654
     Eigenvalues ---    0.15473   0.15917   0.15990   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16004   0.16025   0.16038
     Eigenvalues ---    0.16067   0.16145   0.16202   0.19176   0.21811
     Eigenvalues ---    0.21998   0.21999   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22361   0.22434   0.22465   0.22550   0.22599
     Eigenvalues ---    0.22600   0.22605   0.22607   0.22638   0.22801
     Eigenvalues ---    0.23047   0.23508   0.23517   0.23745   0.24263
     Eigenvalues ---    0.24473   0.24474   0.24485   0.24509   0.24523
     Eigenvalues ---    0.24614   0.24659   0.24759   0.24915   0.24963
     Eigenvalues ---    0.24967   0.24968   0.24971   0.24973   0.24994
     Eigenvalues ---    0.24995   0.25000   0.25004   0.25012   0.25020
     Eigenvalues ---    0.25097   0.25398   0.25916   0.30574   0.32440
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33309   0.33350   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33456   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33680
     Eigenvalues ---    0.33845   0.33862   0.33879   0.33891   0.33900
     Eigenvalues ---    0.33907   0.33937   0.33953   0.34062   0.34338
     Eigenvalues ---    0.34685   0.34801   0.35967   0.44449   0.44468
     Eigenvalues ---    0.44679   0.45185   0.47743   0.48322   0.48649
     Eigenvalues ---    0.48952   0.48961   0.49619   0.49737   0.50203
     Eigenvalues ---    0.50318   0.50369   0.50398   0.50596   0.50612
     Eigenvalues ---    0.50682   0.51461   0.52800   0.53134   0.53401
     Eigenvalues ---    0.54066   0.54103   0.54194   0.54199   0.54211
     Eigenvalues ---    0.54489   0.54794   0.55003   0.55060   0.55485
     Eigenvalues ---    0.55507   0.55651   0.55761   0.55903   0.55936
     Eigenvalues ---    0.56059   0.56127   0.56147   0.56158   0.56275
     Eigenvalues ---    0.56496   0.56544   0.56661   0.56665   0.56666
     Eigenvalues ---    0.56678   0.56697   0.56700   0.56751   0.56907
     Eigenvalues ---    0.56915   0.56944   0.57117   0.57161   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57180   0.61040   0.62156
     Eigenvalues ---    0.63081   0.65920   0.66070   0.67497   0.67591
     Eigenvalues ---    0.67712   0.68487   0.69312   0.69926   0.70266
     Eigenvalues ---    0.73963   0.76198
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    17   16   15   14   13   12   11   10
 RFO step:  Lambda=-9.39127088D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.89212   -0.02556   -1.09481   -0.14729    0.57504
                  RFO-DIIS coefs:   -0.21758   -0.01777    0.03583
 Iteration  1 RMS(Cart)=  0.02137383 RMS(Int)=  0.00020227
 Iteration  2 RMS(Cart)=  0.00033746 RMS(Int)=  0.00003681
 Iteration  3 RMS(Cart)=  0.00000044 RMS(Int)=  0.00003681
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63329  -0.00014   0.00013  -0.00020  -0.00007   2.63322
    R2        2.66187  -0.00037  -0.00025  -0.00036  -0.00060   2.66126
    R3        2.66854   0.00034   0.00082   0.00025   0.00107   2.66961
    R4        2.65853  -0.00015   0.00020  -0.00030  -0.00010   2.65843
    R5        2.04376   0.00005  -0.00016   0.00021   0.00005   2.04381
    R6        2.67333  -0.00011   0.00214  -0.00113   0.00102   2.67435
    R7        2.78303  -0.00014  -0.00139   0.00039  -0.00100   2.78203
    R8        2.66081  -0.00010  -0.00073   0.00023  -0.00050   2.66031
    R9        2.75774  -0.00018  -0.00094   0.00003  -0.00090   2.75685
   R10        2.60950   0.00001   0.00061  -0.00024   0.00037   2.60988
   R11        2.04692   0.00001   0.00014  -0.00001   0.00013   2.04705
   R12        2.04834   0.00005  -0.00020   0.00021   0.00001   2.04835
   R13        2.69624  -0.00021   0.00232  -0.00116   0.00114   2.69739
   R14        2.65029  -0.00008   0.00014  -0.00020  -0.00007   2.65022
   R15        2.73984   0.00026  -0.00071   0.00086   0.00014   2.73997
   R16        2.67132  -0.00013  -0.00084   0.00042  -0.00041   2.67090
   R17        2.72990  -0.00037   0.00127  -0.00111   0.00015   2.73005
   R18        2.54259  -0.00027  -0.00110   0.00044  -0.00062   2.54197
   R19        2.50424  -0.00001   0.00033  -0.00021   0.00008   2.50432
   R20        2.63790  -0.00029   0.00013  -0.00038  -0.00025   2.63765
   R21        2.04282   0.00006  -0.00022   0.00025   0.00003   2.04285
   R22        2.65783  -0.00015   0.00025  -0.00039  -0.00013   2.65770
   R23        2.66113   0.00021   0.00164  -0.00026   0.00138   2.66251
   R24        2.60896  -0.00003   0.00025  -0.00004   0.00022   2.60918
   R25        2.04769   0.00002  -0.00033   0.00025  -0.00008   2.04761
   R26        2.05392  -0.00006   0.00192  -0.00089   0.00104   2.05495
   R27        2.57640   0.00017   0.00132   0.00022   0.00158   2.57798
   R28        2.12601  -0.00014  -0.02004   0.00285  -0.01744   2.10856
   R29        5.50872  -0.00014   0.00888   0.00134   0.01048   5.51920
   R30        2.69564   0.00001   0.00189  -0.00079   0.00111   2.69675
   R31        2.67784  -0.00033   0.00012  -0.00065  -0.00053   2.67732
   R32        2.55477  -0.00008  -0.00042   0.00007  -0.00038   2.55439
   R33        2.67473  -0.00002   0.00068  -0.00031   0.00037   2.67510
   R34        2.59630  -0.00005   0.00011   0.00005   0.00015   2.59646
   R35        2.05240  -0.00001   0.00058  -0.00030   0.00029   2.05269
   R36        2.69988  -0.00023  -0.00002  -0.00036  -0.00039   2.69948
   R37        2.04860   0.00000  -0.00009   0.00009   0.00000   2.04860
   R38        2.61255  -0.00027  -0.00038  -0.00017  -0.00055   2.61200
   R39        2.66156   0.00038   0.00171  -0.00006   0.00165   2.66321
   R40        2.04647   0.00002  -0.00013   0.00014   0.00001   2.04648
   R41        2.65456  -0.00014  -0.00070   0.00025  -0.00045   2.65411
   R42        2.65571  -0.00005  -0.00087   0.00026  -0.00061   2.65510
   R43        2.66033  -0.00010  -0.00102   0.00041  -0.00061   2.65973
   R44        2.65779   0.00015  -0.00118   0.00075  -0.00044   2.65735
   R45        2.65924  -0.00012  -0.00134   0.00045  -0.00089   2.65835
   R46        2.65777  -0.00008  -0.00090   0.00036  -0.00054   2.65723
   R47        2.67630  -0.00016   0.00153  -0.00088   0.00065   2.67695
   R48        2.64090  -0.00021   0.00034  -0.00037  -0.00003   2.64087
   R49        2.73772   0.00001   0.00075  -0.00032   0.00044   2.73816
   R50        2.64406  -0.00015  -0.00014  -0.00014  -0.00028   2.64378
   R51        2.67726  -0.00017   0.00145  -0.00089   0.00056   2.67783
   R52        2.64364  -0.00012  -0.00009  -0.00012  -0.00021   2.64343
   R53        2.64110  -0.00016   0.00045  -0.00039   0.00006   2.64116
   R54        2.67786  -0.00019   0.00123  -0.00076   0.00047   2.67834
   R55        2.64128  -0.00026   0.00018  -0.00034  -0.00016   2.64111
   R56        2.73722   0.00003   0.00102  -0.00036   0.00066   2.73788
   R57        2.64437  -0.00013  -0.00008  -0.00009  -0.00017   2.64420
   R58        2.67776  -0.00013   0.00136  -0.00079   0.00057   2.67833
   R59        2.64446  -0.00011  -0.00012  -0.00008  -0.00020   2.64426
   R60        2.64096  -0.00016   0.00012  -0.00028  -0.00016   2.64080
   R61        2.67693  -0.00015   0.00141  -0.00079   0.00062   2.67754
   R62        2.64007  -0.00017   0.00034  -0.00033   0.00001   2.64008
   R63        2.73797   0.00000   0.00102  -0.00044   0.00058   2.73855
   R64        2.64397  -0.00012  -0.00008  -0.00011  -0.00019   2.64378
   R65        2.67649  -0.00015   0.00136  -0.00078   0.00058   2.67707
   R66        2.64377  -0.00012  -0.00001  -0.00013  -0.00014   2.64362
   R67        2.64096  -0.00019   0.00029  -0.00033  -0.00003   2.64093
   R68        2.63016  -0.00005  -0.00007   0.00001  -0.00006   2.63010
   R69        2.05231   0.00001   0.00004   0.00001   0.00005   2.05236
   R70        2.65347  -0.00019   0.00024  -0.00034  -0.00010   2.65337
   R71        2.05115   0.00001  -0.00013   0.00010  -0.00003   2.05112
   R72        2.63385  -0.00002   0.00004   0.00002   0.00006   2.63391
   R73        2.05181   0.00001   0.00006  -0.00000   0.00006   2.05187
   R74        2.04817   0.00001  -0.00021   0.00018  -0.00004   2.04814
   R75        2.63352  -0.00002   0.00001   0.00003   0.00005   2.63357
   R76        2.04776   0.00006  -0.00031   0.00030  -0.00001   2.04775
   R77        2.65395  -0.00018   0.00018  -0.00031  -0.00013   2.65382
   R78        2.05160   0.00001   0.00008  -0.00003   0.00006   2.05166
   R79        2.62966  -0.00003  -0.00001   0.00001   0.00000   2.62966
   R80        2.05118   0.00001  -0.00013   0.00009  -0.00004   2.05114
   R81        2.05234   0.00001   0.00004   0.00002   0.00006   2.05240
   R82        2.62965  -0.00004   0.00011  -0.00004   0.00007   2.62972
   R83        2.05238   0.00001   0.00005   0.00001   0.00005   2.05244
   R84        2.65441  -0.00020   0.00027  -0.00036  -0.00009   2.65432
   R85        2.05112   0.00001  -0.00013   0.00009  -0.00003   2.05109
   R86        2.63332  -0.00001   0.00017  -0.00002   0.00015   2.63346
   R87        2.05182   0.00001   0.00008  -0.00001   0.00007   2.05189
   R88        2.04852  -0.00000  -0.00004   0.00008   0.00003   2.04856
   R89        2.63343  -0.00003   0.00013  -0.00001   0.00012   2.63354
   R90        2.04838   0.00008  -0.00011   0.00016   0.00005   2.04843
   R91        2.65438  -0.00016   0.00030  -0.00035  -0.00005   2.65433
   R92        2.05195   0.00001   0.00010  -0.00004   0.00007   2.05202
   R93        2.62984  -0.00002   0.00009  -0.00004   0.00005   2.62989
   R94        2.05118   0.00001  -0.00012   0.00009  -0.00003   2.05115
   R95        2.05238   0.00001   0.00003   0.00002   0.00005   2.05243
   R96        2.63018  -0.00005   0.00000  -0.00003  -0.00003   2.63015
   R97        2.05226   0.00001   0.00006   0.00001   0.00006   2.05233
   R98        2.65370  -0.00018   0.00031  -0.00036  -0.00004   2.65366
   R99        2.05110   0.00001  -0.00012   0.00009  -0.00003   2.05107
   R100       2.63383  -0.00002   0.00006  -0.00001   0.00006   2.63389
   R101       2.05166   0.00001   0.00007  -0.00002   0.00005   2.05172
   R102       2.04842   0.00004  -0.00016   0.00017   0.00001   2.04843
   R103       2.63380  -0.00004   0.00012  -0.00006   0.00006   2.63386
   R104       2.04793   0.00004  -0.00011   0.00013   0.00002   2.04795
   R105       2.65372  -0.00017   0.00027  -0.00033  -0.00006   2.65365
   R106       2.05183   0.00001   0.00009  -0.00003   0.00006   2.05189
   R107       2.62991  -0.00005   0.00007  -0.00005   0.00002   2.62993
   R108       2.05114   0.00001  -0.00012   0.00009  -0.00003   2.05111
   R109       2.05227   0.00001   0.00005   0.00001   0.00006   2.05233
   R110       3.40153   0.00008   0.03113  -0.00145   0.02942   3.43095
    A1        2.08798   0.00016   0.00018   0.00048   0.00066   2.08864
    A2        2.09707   0.00001  -0.00026  -0.00017  -0.00043   2.09664
    A3        2.09813  -0.00016   0.00007  -0.00030  -0.00023   2.09791
    A4        2.12185  -0.00006   0.00027  -0.00042  -0.00015   2.12171
    A5        2.05296   0.00001   0.00048  -0.00023   0.00025   2.05321
    A6        2.10817   0.00005  -0.00073   0.00065  -0.00008   2.10808
    A7        2.06271  -0.00001  -0.00041   0.00007  -0.00033   2.06237
    A8        2.13110  -0.00001   0.00019  -0.00010   0.00010   2.13119
    A9        2.08903   0.00003   0.00028   0.00006   0.00032   2.08935
   A10        2.09166   0.00001  -0.00044   0.00049   0.00005   2.09171
   A11        2.10030   0.00001   0.00020  -0.00014   0.00005   2.10036
   A12        2.09116  -0.00002   0.00026  -0.00035  -0.00008   2.09108
   A13        2.11445  -0.00003   0.00066  -0.00046   0.00020   2.11465
   A14        2.06337  -0.00003   0.00012  -0.00024  -0.00012   2.06325
   A15        2.10517   0.00006  -0.00078   0.00071  -0.00007   2.10510
   A16        2.08758  -0.00006  -0.00028  -0.00016  -0.00043   2.08715
   A17        2.09019  -0.00006   0.00074  -0.00064   0.00010   2.09029
   A18        2.10517   0.00013  -0.00045   0.00080   0.00035   2.10552
   A19        2.10504  -0.00002   0.00007   0.00009   0.00012   2.10516
   A20        2.11328  -0.00011   0.00103  -0.00104   0.00001   2.11329
   A21        2.06487   0.00013  -0.00110   0.00095  -0.00015   2.06471
   A22        2.08094  -0.00002  -0.00062   0.00008  -0.00059   2.08035
   A23        2.07994  -0.00007   0.00034  -0.00040  -0.00005   2.07989
   A24        2.12227   0.00009   0.00027   0.00032   0.00063   2.12290
   A25        2.10381  -0.00004   0.00146  -0.00042   0.00097   2.10478
   A26        2.13494   0.00003  -0.00144   0.00132  -0.00013   2.13480
   A27        2.04437   0.00001  -0.00001  -0.00089  -0.00080   2.04357
   A28        2.08504   0.00006  -0.00069   0.00056  -0.00015   2.08489
   A29        2.06590  -0.00016   0.00137  -0.00137   0.00002   2.06591
   A30        2.13220   0.00010  -0.00067   0.00081   0.00014   2.13234
   A31        2.12776  -0.00011   0.00057  -0.00062  -0.00007   2.12769
   A32        2.10160   0.00006  -0.00061   0.00051  -0.00008   2.10151
   A33        2.05360   0.00005  -0.00001   0.00012   0.00012   2.05372
   A34        2.08211   0.00010   0.00039   0.00012   0.00050   2.08261
   A35        2.09747   0.00004  -0.00080   0.00029  -0.00051   2.09696
   A36        2.10360  -0.00013   0.00041  -0.00041   0.00000   2.10360
   A37        2.09538  -0.00003  -0.00056   0.00025  -0.00031   2.09507
   A38        2.09726  -0.00007   0.00140  -0.00096   0.00044   2.09770
   A39        2.09027   0.00011  -0.00090   0.00074  -0.00017   2.09010
   A40        2.11591  -0.00001   0.00058  -0.00032   0.00024   2.11615
   A41        2.10426   0.00012   0.00049   0.00062   0.00110   2.10536
   A42        2.06301  -0.00011  -0.00105  -0.00030  -0.00136   2.06165
   A43        2.13256   0.00007   0.00165   0.00045   0.00195   2.13451
   A44        2.16160   0.00013   0.00466  -0.00175   0.00259   2.16419
   A45        2.26210   0.00034   0.01175  -0.00194   0.00982   2.27192
   A46        1.98608  -0.00019  -0.00404   0.00121  -0.00306   1.98302
   A47        1.88334  -0.00040  -0.01020   0.00129  -0.00904   1.87429
   A48        2.06403  -0.00013  -0.00225   0.00005  -0.00212   2.06191
   A49        2.11977   0.00021   0.00148   0.00049   0.00190   2.12167
   A50        2.09939  -0.00008   0.00078  -0.00054   0.00022   2.09961
   A51        2.10876  -0.00001   0.00098  -0.00036   0.00063   2.10939
   A52        2.08414   0.00003  -0.00077   0.00062  -0.00014   2.08400
   A53        2.09028  -0.00002  -0.00022  -0.00026  -0.00050   2.08977
   A54        2.08365  -0.00004   0.00044   0.00004   0.00044   2.08409
   A55        2.07414   0.00006  -0.00085   0.00048  -0.00037   2.07377
   A56        2.07284   0.00005  -0.00117   0.00068  -0.00050   2.07234
   A57        2.13590  -0.00012   0.00212  -0.00119   0.00093   2.13683
   A58        2.12367  -0.00002   0.00052  -0.00025   0.00027   2.12394
   A59        2.08821   0.00005  -0.00036   0.00034  -0.00002   2.08819
   A60        2.07105  -0.00003  -0.00015  -0.00009  -0.00024   2.07082
   A61        2.09006   0.00007   0.00053  -0.00005   0.00048   2.09054
   A62        2.08142  -0.00004  -0.00024   0.00007  -0.00017   2.08124
   A63        2.11151  -0.00003  -0.00025  -0.00004  -0.00029   2.11122
   A64        2.09449  -0.00007  -0.00010  -0.00025  -0.00035   2.09414
   A65        2.06385   0.00002  -0.00013   0.00011  -0.00002   2.06382
   A66        2.12474   0.00005   0.00021   0.00015   0.00036   2.12510
   A67        2.19452  -0.00013  -0.00070   0.00029  -0.00041   2.19410
   A68        2.19846   0.00011  -0.00008   0.00003  -0.00005   2.19841
   A69        1.89020   0.00002   0.00078  -0.00032   0.00046   1.89066
   A70        2.19339  -0.00006   0.00013  -0.00003   0.00009   2.19349
   A71        2.20029   0.00009  -0.00094   0.00041  -0.00053   2.19975
   A72        1.88948  -0.00002   0.00081  -0.00038   0.00043   1.88991
   A73        2.20020  -0.00003  -0.00069   0.00022  -0.00047   2.19973
   A74        2.19307   0.00000  -0.00021   0.00012  -0.00009   2.19298
   A75        1.88990   0.00003   0.00090  -0.00034   0.00057   1.89046
   A76        1.89864   0.00003  -0.00004   0.00002  -0.00002   1.89861
   A77        2.26309  -0.00012   0.00135  -0.00079   0.00055   2.26364
   A78        2.12037   0.00010  -0.00114   0.00071  -0.00044   2.11994
   A79        1.86892   0.00002  -0.00040   0.00021  -0.00019   1.86873
   A80        2.08882  -0.00005   0.00048  -0.00031   0.00016   2.08899
   A81        2.32530   0.00003  -0.00006   0.00011   0.00005   2.32535
   A82        1.86864   0.00002  -0.00045   0.00026  -0.00019   1.86845
   A83        2.32568   0.00001  -0.00005   0.00005  -0.00000   2.32567
   A84        2.08868  -0.00003   0.00052  -0.00030   0.00021   2.08890
   A85        1.89908  -0.00004   0.00007  -0.00010  -0.00003   1.89905
   A86        2.26410  -0.00001   0.00102  -0.00054   0.00048   2.26458
   A87        2.11881   0.00005  -0.00099   0.00060  -0.00040   2.11841
   A88        1.89978   0.00002  -0.00002  -0.00001  -0.00003   1.89975
   A89        2.26238  -0.00018   0.00047  -0.00055  -0.00009   2.26229
   A90        2.12008   0.00016  -0.00035   0.00055   0.00020   2.12028
   A91        1.86759  -0.00000  -0.00037   0.00017  -0.00020   1.86739
   A92        2.08792  -0.00009   0.00022  -0.00038  -0.00016   2.08776
   A93        2.32753   0.00009   0.00015   0.00022   0.00038   2.32791
   A94        1.86789  -0.00002  -0.00034   0.00011  -0.00023   1.86765
   A95        2.32719   0.00008   0.00013   0.00027   0.00041   2.32760
   A96        2.08798  -0.00006   0.00021  -0.00037  -0.00016   2.08782
   A97        1.89932  -0.00002  -0.00005   0.00004  -0.00001   1.89932
   A98        2.26292  -0.00006   0.00052  -0.00056  -0.00005   2.26287
   A99        2.12004   0.00007  -0.00040   0.00052   0.00012   2.12016
   A100       1.89819   0.00000   0.00010  -0.00006   0.00003   1.89822
   A101       2.26383  -0.00007   0.00043  -0.00035   0.00008   2.26390
   A102       2.12014   0.00007  -0.00042   0.00039  -0.00003   2.12010
   A103       1.86908  -0.00001  -0.00053   0.00023  -0.00030   1.86878
   A104       2.08836  -0.00005   0.00010  -0.00020  -0.00010   2.08826
   A105       2.32561   0.00006   0.00044  -0.00002   0.00042   2.32603
   A106       1.86830  -0.00000  -0.00035   0.00017  -0.00017   1.86813
   A107       2.32663   0.00005   0.00026   0.00004   0.00030   2.32692
   A108       2.08808  -0.00005   0.00011  -0.00021  -0.00009   2.08799
   A109       1.89928  -0.00002  -0.00012  -0.00001  -0.00013   1.89916
   A110       2.26211  -0.00006   0.00066  -0.00041   0.00024   2.26235
   A111       2.12070   0.00008  -0.00037   0.00038   0.00000   2.12070
   A112       2.07964   0.00001   0.00023  -0.00013   0.00010   2.07974
   A113       2.09988  -0.00001  -0.00094   0.00042  -0.00052   2.09936
   A114       2.10364   0.00001   0.00071  -0.00029   0.00042   2.10406
   A115       2.10324   0.00001  -0.00059   0.00035  -0.00024   2.10300
   A116       2.09212   0.00001   0.00081  -0.00040   0.00041   2.09252
   A117       2.08779  -0.00002  -0.00023   0.00006  -0.00017   2.08762
   A118       2.11950  -0.00003   0.00073  -0.00042   0.00032   2.11982
   A119       2.08641   0.00001   0.00014  -0.00003   0.00010   2.08652
   A120       2.07726   0.00002  -0.00087   0.00045  -0.00042   2.07684
   A121       2.05613  -0.00001   0.00012  -0.00012   0.00001   2.05613
   A122       2.12263  -0.00003   0.00044  -0.00031   0.00012   2.12275
   A123       2.10434   0.00004  -0.00059   0.00044  -0.00014   2.10420
   A124       2.05426  -0.00003   0.00041  -0.00028   0.00013   2.05440
   A125       2.12530  -0.00003   0.00008  -0.00012  -0.00004   2.12525
   A126       2.10361   0.00006  -0.00049   0.00040  -0.00009   2.10352
   A127       2.12039  -0.00003   0.00058  -0.00035   0.00023   2.12063
   A128       2.07613   0.00001  -0.00057   0.00027  -0.00031   2.07583
   A129       2.08666   0.00002  -0.00001   0.00008   0.00007   2.08673
   A130       2.10363   0.00001  -0.00063   0.00038  -0.00025   2.10339
   A131       2.08750  -0.00002  -0.00021   0.00007  -0.00014   2.08736
   A132       2.09203   0.00000   0.00083  -0.00045   0.00038   2.09241
   A133       2.07858   0.00000   0.00035  -0.00019   0.00016   2.07874
   A134       2.10038  -0.00001  -0.00098   0.00044  -0.00054   2.09985
   A135       2.10421   0.00001   0.00063  -0.00026   0.00038   2.10459
   A136       2.07941   0.00001   0.00017  -0.00005   0.00012   2.07953
   A137       2.10006  -0.00000  -0.00098   0.00052  -0.00046   2.09960
   A138       2.10370  -0.00001   0.00082  -0.00047   0.00034   2.10404
   A139       2.10356   0.00003  -0.00047   0.00040  -0.00008   2.10348
   A140       2.09217  -0.00000   0.00075  -0.00045   0.00031   2.09248
   A141       2.08743  -0.00003  -0.00029   0.00005  -0.00023   2.08720
   A142       2.11985  -0.00004   0.00070  -0.00050   0.00020   2.12005
   A143       2.08609  -0.00000   0.00021  -0.00013   0.00007   2.08617
   A144       2.07724   0.00004  -0.00090   0.00063  -0.00027   2.07697
   A145       2.05526  -0.00002  -0.00020   0.00001  -0.00019   2.05507
   A146       2.12189  -0.00005   0.00037  -0.00048  -0.00011   2.12178
   A147       2.10600   0.00006  -0.00018   0.00047   0.00029   2.10629
   A148       2.05516  -0.00005  -0.00024  -0.00001  -0.00025   2.05491
   A149       2.12180  -0.00005   0.00044  -0.00049  -0.00004   2.12176
   A150       2.10618   0.00010  -0.00021   0.00050   0.00029   2.10647
   A151       2.11985  -0.00005   0.00073  -0.00052   0.00022   2.12007
   A152       2.07749   0.00003  -0.00088   0.00059  -0.00029   2.07720
   A153       2.08583   0.00002   0.00015  -0.00007   0.00008   2.08591
   A154       2.10360   0.00003  -0.00050   0.00043  -0.00008   2.10353
   A155       2.08754  -0.00003  -0.00034   0.00006  -0.00027   2.08727
   A156       2.09201  -0.00000   0.00084  -0.00049   0.00035   2.09236
   A157       2.07946  -0.00001   0.00018  -0.00008   0.00010   2.07955
   A158       2.10019  -0.00001  -0.00099   0.00051  -0.00048   2.09971
   A159       2.10352   0.00001   0.00082  -0.00043   0.00039   2.10391
   A160       2.07899   0.00001   0.00025  -0.00012   0.00014   2.07913
   A161       2.10044  -0.00001  -0.00089   0.00041  -0.00048   2.09996
   A162       2.10374   0.00000   0.00064  -0.00030   0.00034   2.10408
   A163       2.10394   0.00002  -0.00044   0.00033  -0.00011   2.10383
   A164       2.09186   0.00000   0.00075  -0.00042   0.00034   2.09219
   A165       2.08735  -0.00002  -0.00032   0.00009  -0.00023   2.08712
   A166       2.11965  -0.00003   0.00066  -0.00043   0.00023   2.11989
   A167       2.08651   0.00001   0.00005   0.00001   0.00006   2.08656
   A168       2.07701   0.00003  -0.00070   0.00042  -0.00029   2.07672
   A169       2.05458  -0.00002  -0.00015   0.00002  -0.00014   2.05445
   A170       2.12490  -0.00004   0.00033  -0.00027   0.00006   2.12496
   A171       2.10365   0.00005  -0.00018   0.00026   0.00008   2.10372
   A172       2.05510  -0.00002  -0.00011   0.00001  -0.00010   2.05500
   A173       2.12282  -0.00004   0.00008  -0.00028  -0.00020   2.12262
   A174       2.10522   0.00006   0.00002   0.00028   0.00030   2.10551
   A175       2.11997  -0.00003   0.00059  -0.00040   0.00019   2.12015
   A176       2.07703   0.00003  -0.00063   0.00041  -0.00022   2.07681
   A177       2.08618   0.00001   0.00004  -0.00001   0.00003   2.08622
   A178       2.10337   0.00002  -0.00040   0.00032  -0.00008   2.10328
   A179       2.08774  -0.00002  -0.00026   0.00006  -0.00020   2.08754
   A180       2.09205   0.00000   0.00066  -0.00038   0.00029   2.09234
   A181       2.07920   0.00000   0.00027  -0.00012   0.00015   2.07935
   A182       2.10006  -0.00001  -0.00083   0.00042  -0.00041   2.09965
   A183       2.10390   0.00000   0.00056  -0.00030   0.00027   2.10417
    D1        0.01315  -0.00000   0.00034  -0.00059  -0.00024   0.01290
    D2       -3.10699  -0.00002  -0.00057  -0.00090  -0.00146  -3.10845
    D3       -3.12670  -0.00001  -0.00037   0.00021  -0.00017  -3.12687
    D4        0.03635  -0.00003  -0.00128  -0.00011  -0.00139   0.03496
    D5        0.00081   0.00002  -0.00055   0.00119   0.00063   0.00145
    D6       -3.11734  -0.00000  -0.00130   0.00106  -0.00025  -3.11759
    D7        3.14066   0.00003   0.00016   0.00040   0.00056   3.14122
    D8        0.02251   0.00000  -0.00059   0.00027  -0.00033   0.02218
    D9       -2.27139   0.00004   0.00686  -0.00151   0.00535  -2.26604
   D10        0.87562   0.00005   0.00777  -0.00174   0.00603   0.88165
   D11        0.87196   0.00004   0.00614  -0.00071   0.00543   0.87739
   D12       -2.26422   0.00004   0.00706  -0.00095   0.00611  -2.25811
   D13       -0.01527  -0.00003  -0.00009  -0.00060  -0.00069  -0.01596
   D14       -3.12798  -0.00009  -0.00279  -0.00168  -0.00445  -3.13244
   D15        3.10419  -0.00000   0.00086  -0.00029   0.00057   3.10477
   D16       -0.00852  -0.00007  -0.00184  -0.00136  -0.00319  -0.01171
   D17        0.00377   0.00004   0.00005   0.00119   0.00124   0.00501
   D18        3.13411   0.00005   0.00153   0.00124   0.00279   3.13689
   D19        3.11720   0.00010   0.00269   0.00224   0.00491   3.12211
   D20       -0.03565   0.00012   0.00417   0.00229   0.00646  -0.02919
   D21       -3.13784  -0.00002   0.00573  -0.00240   0.00334  -3.13451
   D22       -0.00009  -0.00007   0.00206  -0.00222  -0.00015  -0.00025
   D23        0.03305  -0.00009   0.00300  -0.00349  -0.00048   0.03258
   D24       -3.11238  -0.00013  -0.00067  -0.00331  -0.00397  -3.11635
   D25        0.00992  -0.00002  -0.00028  -0.00061  -0.00088   0.00904
   D26        3.12999  -0.00000   0.00020  -0.00041  -0.00020   3.12979
   D27       -3.12047  -0.00004  -0.00175  -0.00066  -0.00242  -3.12289
   D28       -0.00040  -0.00002  -0.00127  -0.00047  -0.00174  -0.00214
   D29       -0.01098   0.00000  -0.00229   0.00106  -0.00124  -0.01223
   D30        3.14104   0.00002  -0.00281   0.00097  -0.00189   3.13914
   D31        3.11935   0.00002  -0.00081   0.00112   0.00030   3.11966
   D32       -0.01181   0.00004  -0.00134   0.00103  -0.00035  -0.01216
   D33       -0.01225  -0.00001   0.00053  -0.00060  -0.00007  -0.01232
   D34        3.10569   0.00001   0.00131  -0.00048   0.00082   3.10651
   D35       -3.13181  -0.00003   0.00002  -0.00078  -0.00076  -3.13258
   D36       -0.01387  -0.00001   0.00080  -0.00067   0.00013  -0.01374
   D37        0.01676  -0.00007  -0.01189   0.00123  -0.01065   0.00611
   D38       -3.11531  -0.00012  -0.01098   0.00039  -0.01059  -3.12589
   D39       -3.12110  -0.00003  -0.00833   0.00107  -0.00725  -3.12835
   D40        0.03002  -0.00007  -0.00741   0.00022  -0.00719   0.02283
   D41        3.11991   0.00009   0.00727   0.00010   0.00737   3.12728
   D42       -0.04528   0.00005   0.00533   0.00031   0.00564  -0.03965
   D43       -0.02543   0.00004   0.00368   0.00027   0.00395  -0.02148
   D44        3.09256   0.00001   0.00174   0.00048   0.00223   3.09478
   D45       -0.06404   0.00020   0.01373   0.00220   0.01590  -0.04814
   D46        3.09009   0.00010   0.01173   0.00117   0.01290   3.10299
   D47        3.06779   0.00024   0.01279   0.00306   0.01584   3.08363
   D48       -0.06126   0.00015   0.01079   0.00203   0.01283  -0.04843
   D49       -0.01375   0.00006   0.00492   0.00000   0.00492  -0.00883
   D50        3.12578   0.00003  -0.00276   0.00199  -0.00078   3.12500
   D51        3.13760   0.00001   0.00586  -0.00086   0.00499  -3.14059
   D52       -0.00605  -0.00001  -0.00183   0.00113  -0.00071  -0.00676
   D53        0.06155  -0.00016  -0.00670  -0.00336  -0.01004   0.05150
   D54       -3.09089  -0.00018  -0.00615  -0.00328  -0.00936  -3.10025
   D55       -3.09195  -0.00007  -0.00479  -0.00237  -0.00718  -3.09914
   D56        0.03880  -0.00009  -0.00424  -0.00229  -0.00651   0.03229
   D57        3.09529   0.00014   0.00180   0.00397   0.00572   3.10100
   D58       -0.13377   0.00030   0.02849   0.00278   0.03129  -0.10247
   D59       -0.16935   0.00022   0.04148   0.00172   0.04341  -0.12594
   D60       -0.03417   0.00005  -0.00016   0.00297   0.00280  -0.03137
   D61        3.01996   0.00021   0.02652   0.00178   0.02837   3.04834
   D62        2.98438   0.00013   0.03951   0.00072   0.04049   3.02487
   D63        3.11914   0.00003   0.00379   0.00016   0.00396   3.12310
   D64       -0.01173   0.00005   0.00325   0.00007   0.00329  -0.00844
   D65        0.00376   0.00000   0.00271  -0.00097   0.00175   0.00551
   D66       -3.13489  -0.00002   0.00164  -0.00074   0.00090  -3.13399
   D67       -3.11484   0.00004   0.00461  -0.00118   0.00343  -3.11141
   D68        0.02968   0.00002   0.00354  -0.00096   0.00258   0.03227
   D69        0.01349  -0.00003  -0.00535   0.00116  -0.00420   0.00929
   D70       -3.10254  -0.00005  -0.00214  -0.00021  -0.00236  -3.10489
   D71       -3.13105  -0.00000  -0.00428   0.00093  -0.00335  -3.13440
   D72        0.03611  -0.00002  -0.00107  -0.00043  -0.00150   0.03461
   D73       -2.31209  -0.00003   0.00314  -0.00138   0.00176  -2.31033
   D74        0.82143  -0.00003   0.00134  -0.00127   0.00007   0.82150
   D75        0.83247  -0.00006   0.00205  -0.00115   0.00090   0.83337
   D76       -2.31720  -0.00006   0.00025  -0.00104  -0.00079  -2.31799
   D77       -0.00831  -0.00000   0.00155  -0.00069   0.00085  -0.00746
   D78        3.13529   0.00002   0.00906  -0.00263   0.00641  -3.14148
   D79        3.10782   0.00001  -0.00163   0.00065  -0.00098   3.10684
   D80       -0.03176   0.00004   0.00589  -0.00130   0.00458  -0.02718
   D81        0.00478   0.00004   0.00507  -0.00151   0.00351   0.00829
   D82       -3.13914   0.00007   0.00600  -0.00186   0.00407  -3.13507
   D83       -3.05745  -0.00012  -0.01962  -0.00030  -0.01986  -3.07731
   D84        0.08182  -0.00009  -0.01869  -0.00065  -0.01930   0.06252
   D85       -3.03728  -0.00007  -0.02852   0.00051  -0.02771  -3.06499
   D86        0.10199  -0.00004  -0.02759   0.00016  -0.02715   0.07484
   D87        0.02395  -0.00009  -0.00610  -0.00083  -0.00687   0.01708
   D88       -3.11212  -0.00005  -0.00346  -0.00055  -0.00401  -3.11613
   D89       -3.11535  -0.00012  -0.00703  -0.00049  -0.00742  -3.12277
   D90        0.03177  -0.00007  -0.00439  -0.00021  -0.00456   0.02721
   D91        3.13095   0.00003   0.00214   0.00061   0.00275   3.13369
   D92       -0.03668   0.00004   0.00622  -0.00059   0.00562  -0.03106
   D93       -0.01302   0.00006   0.00309   0.00026   0.00331  -0.00971
   D94        3.10254   0.00007   0.00716  -0.00095   0.00618   3.10873
   D95       -0.01975   0.00005   0.00193   0.00147   0.00340  -0.01635
   D96        3.11630  -0.00000  -0.00072   0.00120   0.00053   3.11684
   D97       -0.02560   0.00004   0.00264  -0.00004   0.00259  -0.02301
   D98        3.10079   0.00003   0.00118   0.00032   0.00151   3.10230
   D99        3.12145   0.00008   0.00526   0.00024   0.00542   3.12687
   D100      -0.03534   0.00008   0.00380   0.00060   0.00434  -0.03101
   D101      -0.01190  -0.00001  -0.00008  -0.00006  -0.00013  -0.01203
   D102       3.10506   0.00001   0.00077  -0.00029   0.00049   3.10555
   D103      -3.12647  -0.00002  -0.00424   0.00116  -0.00309  -3.12956
   D104      -0.00952  -0.00001  -0.00339   0.00093  -0.00247  -0.01199
   D105       0.01808  -0.00003  -0.00165  -0.00018  -0.00182   0.01626
   D106       3.13836  -0.00002   0.00015  -0.00082  -0.00068   3.13769
   D107      -3.09911  -0.00004  -0.00249   0.00004  -0.00244  -3.10155
   D108       0.02117  -0.00004  -0.00069  -0.00060  -0.00129   0.01988
   D109       0.00128   0.00001   0.00034   0.00021   0.00055   0.00183
   D110      -3.12457   0.00002   0.00186  -0.00016   0.00167  -3.12290
   D111      -3.11863   0.00000  -0.00149   0.00087  -0.00062  -3.11925
   D112       0.03871   0.00001   0.00003   0.00049   0.00050   0.03922
   D113      -2.28301  -0.00000   0.00456  -0.00093   0.00363  -2.27937
   D114       0.85181   0.00000   0.00457  -0.00056   0.00401   0.85581
   D115       0.83701   0.00000   0.00640  -0.00159   0.00480   0.84181
   D116      -2.31137   0.00001   0.00640  -0.00122   0.00518  -2.30619
   D117      -3.13745  -0.00001   0.00046  -0.00018   0.00028  -3.13717
   D118       0.05119  -0.00004  -0.00179  -0.00008  -0.00188   0.04931
   D119      -0.00047  -0.00002  -0.00033   0.00002  -0.00030  -0.00077
   D120      -3.09502  -0.00005  -0.00258   0.00012  -0.00246  -3.09748
   D121       3.13525   0.00000  -0.00036   0.00006  -0.00031   3.13494
   D122       0.03965  -0.00002  -0.00207  -0.00006  -0.00213   0.03751
   D123      -0.00171   0.00001   0.00042  -0.00015   0.00028  -0.00143
   D124      -3.09731  -0.00001  -0.00129  -0.00026  -0.00155  -3.09886
   D125       3.13135  -0.00000  -0.00152   0.00022  -0.00129   3.13006
   D126       0.03998  -0.00001  -0.00509   0.00174  -0.00335   0.03663
   D127      -0.00337  -0.00000   0.00003   0.00012   0.00015  -0.00322
   D128      -3.09473  -0.00001  -0.00355   0.00164  -0.00191  -3.09664
   D129      -3.13434  -0.00000   0.00150  -0.00026   0.00125  -3.13309
   D130       0.06010  -0.00000  -0.00064   0.00080   0.00016   0.06026
   D131       0.00035  -0.00000  -0.00004  -0.00016  -0.00020   0.00015
   D132      -3.08840  -0.00000  -0.00219   0.00090  -0.00129  -3.08969
   D133       3.12859   0.00000   0.00043   0.00002   0.00045   3.12904
   D134       0.03622  -0.00002  -0.00194   0.00055  -0.00139   0.03484
   D135      -0.00720  -0.00001   0.00042  -0.00030   0.00013  -0.00707
   D136      -3.09957  -0.00002  -0.00194   0.00023  -0.00171  -3.10128
   D137      -3.13124  -0.00000  -0.00049   0.00001  -0.00048  -3.13172
   D138       0.06083  -0.00003  -0.00427   0.00104  -0.00324   0.05760
   D139       0.00458   0.00000  -0.00049   0.00033  -0.00016   0.00441
   D140      -3.08653  -0.00002  -0.00427   0.00135  -0.00292  -3.08945
   D141       0.00499   0.00000  -0.00000  -0.00004  -0.00004   0.00494
   D142      -3.12072  -0.00002  -0.00121  -0.00032  -0.00153  -3.12225
   D143       3.10124   0.00000   0.00331  -0.00146   0.00185   3.10309
   D144      -0.02446  -0.00002   0.00210  -0.00174   0.00036  -0.02410
   D145       3.11145   0.00001   0.00162  -0.00014   0.00148   3.11293
   D146      -0.02431   0.00002   0.00264  -0.00021   0.00243  -0.02188
   D147       0.02562   0.00001  -0.00239   0.00157  -0.00082   0.02481
   D148      -3.11014   0.00002  -0.00137   0.00150   0.00013  -3.11001
   D149      -0.00471  -0.00001  -0.00002  -0.00006  -0.00008  -0.00478
   D150       3.11540   0.00002   0.00111   0.00025   0.00137   3.11677
   D151       3.11794   0.00002   0.00143   0.00027   0.00170   3.11964
   D152      -0.04514   0.00005   0.00257   0.00058   0.00314  -0.04200
   D153       0.00591   0.00002  -0.00069   0.00086   0.00016   0.00608
   D154      -3.14133   0.00001   0.00039   0.00017   0.00055  -3.14078
   D155      -3.11483  -0.00002  -0.00228   0.00049  -0.00179  -3.11662
   D156       0.02111  -0.00002  -0.00120  -0.00019  -0.00140   0.01971
   D157       0.00271   0.00001   0.00004   0.00013   0.00017   0.00288
   D158       3.09669   0.00000   0.00204  -0.00086   0.00118   3.09787
   D159      -3.12087  -0.00002  -0.00091  -0.00013  -0.00104  -3.12191
   D160      -0.02689  -0.00002   0.00110  -0.00113  -0.00003  -0.02692
   D161      -3.11111  -0.00001  -0.00165   0.00033  -0.00131  -3.11243
   D162       0.02324  -0.00002  -0.00082  -0.00033  -0.00115   0.02210
   D163       0.00684   0.00002  -0.00041   0.00068   0.00027   0.00711
   D164       3.14120   0.00001   0.00042   0.00001   0.00043  -3.14156
   D165       3.11005   0.00000   0.00098  -0.00018   0.00080   3.11085
   D166      -0.01695   0.00001   0.00295  -0.00095   0.00200  -0.01495
   D167       0.02707   0.00001  -0.00144   0.00102  -0.00042   0.02665
   D168      -3.09993   0.00001   0.00053   0.00025   0.00078  -3.09916
   D169       0.00240   0.00001   0.00011   0.00010   0.00021   0.00261
   D170      -3.12341  -0.00001  -0.00031  -0.00051  -0.00082  -3.12423
   D171       3.10151   0.00003   0.00217  -0.00002   0.00215   3.10366
   D172      -0.02430   0.00000   0.00176  -0.00063   0.00112  -0.02317
   D173       3.11414   0.00002   0.00089   0.00024   0.00113   3.11526
   D174      -0.01736   0.00001   0.00182  -0.00027   0.00156  -0.01581
   D175       0.02475  -0.00001  -0.00163   0.00036  -0.00126   0.02349
   D176      -3.10675  -0.00002  -0.00069  -0.00014  -0.00083  -3.10758
   D177      -0.00340  -0.00001   0.00015  -0.00019  -0.00004  -0.00344
   D178       3.12021   0.00002   0.00045   0.00051   0.00095   3.12116
   D179       3.11933   0.00002   0.00065   0.00053   0.00118   3.12051
   D180      -0.04025   0.00005   0.00095   0.00123   0.00217  -0.03808
   D181       0.00634   0.00001  -0.00096   0.00062  -0.00034   0.00601
   D182      -3.14145   0.00000   0.00015  -0.00003   0.00011  -3.14134
   D183      -3.11449  -0.00003  -0.00150  -0.00018  -0.00168  -3.11617
   D184       0.02090  -0.00003  -0.00040  -0.00083  -0.00123   0.01967
   D185       0.00316  -0.00000  -0.00036   0.00021  -0.00015   0.00301
   D186       3.10324   0.00002   0.00122   0.00028   0.00150   3.10474
   D187      -3.12338  -0.00002  -0.00059  -0.00039  -0.00098  -3.12436
   D188      -0.02330  -0.00000   0.00098  -0.00031   0.00066  -0.02264
   D189      -3.11553  -0.00002  -0.00085  -0.00032  -0.00117  -3.11670
   D190       0.02033  -0.00002   0.00009  -0.00089  -0.00080   0.01953
   D191       0.00628   0.00001  -0.00054   0.00045  -0.00008   0.00619
   D192      -3.14105   0.00000   0.00040  -0.00011   0.00029  -3.14077
   D193       3.11373   0.00002   0.00091   0.00021   0.00113   3.11485
   D194      -0.01733   0.00002   0.00172  -0.00012   0.00160  -0.01573
   D195       0.02317  -0.00000  -0.00100   0.00010  -0.00090   0.02228
   D196      -3.10788  -0.00001  -0.00019  -0.00024  -0.00043  -3.10831
   D197       0.00695   0.00001  -0.00020   0.00015  -0.00004   0.00691
   D198      -3.11922  -0.00002  -0.00067  -0.00032  -0.00100  -3.12022
   D199       3.10415   0.00002   0.00196  -0.00035   0.00161   3.10576
   D200      -0.02203  -0.00001   0.00148  -0.00082   0.00066  -0.02137
   D201       3.10777   0.00001   0.00092   0.00016   0.00108   3.10885
   D202      -0.02355   0.00001   0.00208  -0.00040   0.00168  -0.02187
   D203       0.02084  -0.00000  -0.00172   0.00076  -0.00096   0.01987
   D204      -3.11049  -0.00001  -0.00056   0.00020  -0.00036  -3.11085
   D205      -0.00409  -0.00001  -0.00010   0.00005  -0.00005  -0.00415
   D206       3.11649   0.00002   0.00148   0.00038   0.00185   3.11834
   D207       3.11910   0.00002   0.00046   0.00061   0.00107   3.12018
   D208      -0.04350   0.00005   0.00204   0.00094   0.00298  -0.04052
   D209       0.00642   0.00001  -0.00053   0.00050  -0.00003   0.00639
   D210       3.14136   0.00001   0.00023   0.00006   0.00029  -3.14154
   D211      -3.11494  -0.00002  -0.00115  -0.00012  -0.00127  -3.11621
   D212       0.02000  -0.00002  -0.00039  -0.00056  -0.00095   0.01905
   D213      -0.00026   0.00000   0.00037  -0.00023   0.00014  -0.00013
   D214       3.09572   0.00002   0.00382  -0.00118   0.00263   3.09835
   D215      -3.12426  -0.00002  -0.00096  -0.00051  -0.00147  -3.12573
   D216      -0.02828  -0.00001   0.00249  -0.00146   0.00103  -0.02725
   D217      -3.11198  -0.00002  -0.00275   0.00048  -0.00226  -3.11424
   D218       0.02318  -0.00003  -0.00155  -0.00030  -0.00185   0.02132
   D219       0.00650   0.00001  -0.00102   0.00085  -0.00016   0.00633
   D220      -3.14153   0.00001   0.00018   0.00006   0.00025  -3.14128
   D221       3.11589   0.00002   0.00167   0.00006   0.00174   3.11763
   D222      -0.01439   0.00002   0.00201   0.00007   0.00208  -0.01231
   D223       0.03035  -0.00000  -0.00253   0.00121  -0.00132   0.02903
   D224      -3.09993  -0.00000  -0.00220   0.00122  -0.00098  -3.10091
   D225       0.01183  -0.00000   0.00012  -0.00018  -0.00006   0.01176
   D226      -3.13959   0.00001  -0.00081   0.00044  -0.00037  -3.13996
   D227      -3.12252   0.00000  -0.00070   0.00048  -0.00022  -3.12274
   D228       0.00925   0.00001  -0.00163   0.00111  -0.00053   0.00872
   D229      -0.01140  -0.00001  -0.00050   0.00009  -0.00040  -0.01181
   D230       3.12476   0.00001   0.00057  -0.00012   0.00045   3.12522
   D231       3.13999  -0.00002   0.00043  -0.00053  -0.00010   3.13989
   D232      -0.00703  -0.00000   0.00150  -0.00074   0.00076  -0.00627
   D233      -0.00805   0.00000   0.00112  -0.00049   0.00063  -0.00742
   D234       3.11912   0.00000  -0.00082   0.00026  -0.00055   3.11856
   D235       3.13894  -0.00001   0.00005  -0.00028  -0.00023   3.13872
   D236      -0.01708  -0.00001  -0.00189   0.00048  -0.00141  -0.01849
   D237      -0.00908   0.00000   0.00134  -0.00057   0.00077  -0.00831
   D238       3.13554  -0.00001   0.00004  -0.00025  -0.00021   3.13532
   D239       3.12676  -0.00000   0.00034  -0.00050  -0.00016   3.12660
   D240      -0.01181  -0.00002  -0.00097  -0.00018  -0.00115  -0.01296
   D241      -0.00884  -0.00001  -0.00003  -0.00025  -0.00028  -0.00912
   D242       3.13982  -0.00001   0.00076  -0.00069   0.00007   3.13989
   D243       3.12971   0.00000   0.00128  -0.00057   0.00071   3.13043
   D244      -0.00482  -0.00000   0.00208  -0.00101   0.00107  -0.00375
   D245       0.01030  -0.00000  -0.00031   0.00011  -0.00020   0.01010
   D246      -3.12563   0.00000  -0.00138   0.00079  -0.00059  -3.12622
   D247      -3.13837   0.00000  -0.00111   0.00055  -0.00056  -3.13893
   D248       0.00888   0.00001  -0.00218   0.00124  -0.00095   0.00794
   D249       0.00979  -0.00001   0.00016  -0.00039  -0.00023   0.00956
   D250      -3.13897   0.00000  -0.00043   0.00016  -0.00028  -3.13925
   D251      -3.12605  -0.00000  -0.00077   0.00017  -0.00060  -3.12665
   D252       0.00837   0.00001  -0.00137   0.00072  -0.00065   0.00772
   D253      -0.00971  -0.00000  -0.00020   0.00018  -0.00002  -0.00973
   D254       3.12817   0.00001   0.00075  -0.00001   0.00074   3.12891
   D255       3.13904  -0.00001   0.00039  -0.00037   0.00002   3.13906
   D256      -0.00627   0.00000   0.00133  -0.00055   0.00078  -0.00549
   D257      -0.00677   0.00001   0.00060  -0.00002   0.00058  -0.00619
   D258       3.12439   0.00001  -0.00020   0.00030   0.00011   3.12450
   D259       3.13852  -0.00000  -0.00034   0.00016  -0.00018   3.13834
   D260      -0.01350  -0.00000  -0.00114   0.00049  -0.00065  -0.01415
   D261      -0.00803   0.00001   0.00074  -0.00009   0.00065  -0.00739
   D262       3.13891  -0.00001  -0.00034   0.00011  -0.00023   3.13868
   D263       3.12356   0.00002  -0.00019   0.00041   0.00022   3.12378
   D264      -0.01268   0.00000  -0.00127   0.00061  -0.00066  -0.01334
   D265      -0.00933   0.00000   0.00001   0.00010   0.00011  -0.00922
   D266       3.14048  -0.00001   0.00031  -0.00028   0.00002   3.14051
   D267       3.12689   0.00002   0.00109  -0.00010   0.00099   3.12788
   D268      -0.00649   0.00000   0.00139  -0.00048   0.00091  -0.00558
   D269       0.01003  -0.00001   0.00010  -0.00036  -0.00027   0.00976
   D270      -3.12535  -0.00001  -0.00100   0.00029  -0.00071  -3.12606
   D271      -3.13980   0.00000  -0.00021   0.00002  -0.00018  -3.13999
   D272       0.00801   0.00001  -0.00130   0.00067  -0.00063   0.00737
   D273       0.01186  -0.00001  -0.00031  -0.00005  -0.00037   0.01150
   D274      -3.13946   0.00000  -0.00057   0.00016  -0.00041  -3.13987
   D275      -3.12328  -0.00000  -0.00151   0.00073  -0.00077  -3.12405
   D276       0.00858   0.00001  -0.00176   0.00094  -0.00082   0.00776
   D277      -0.00942  -0.00000   0.00024  -0.00018   0.00005  -0.00937
   D278       3.12532   0.00001   0.00158  -0.00053   0.00105   3.12637
   D279      -3.14131  -0.00001   0.00048  -0.00039   0.00009  -3.14122
   D280      -0.00657   0.00000   0.00182  -0.00074   0.00109  -0.00548
   D281      -0.01160   0.00001   0.00116  -0.00038   0.00078  -0.01082
   D282       3.11882   0.00001   0.00084  -0.00040   0.00044   3.11926
   D283       3.13680  -0.00001  -0.00018  -0.00004  -0.00021   3.13659
   D284      -0.01596  -0.00001  -0.00050  -0.00005  -0.00055  -0.01650
   D285      -0.00471   0.00001   0.00107  -0.00040   0.00066  -0.00405
   D286       3.13999  -0.00001   0.00008  -0.00014  -0.00006   3.13993
   D287       3.12672   0.00001  -0.00009   0.00015   0.00006   3.12678
   D288      -0.01176  -0.00000  -0.00107   0.00041  -0.00067  -0.01243
   D289      -0.01042  -0.00000  -0.00017   0.00012  -0.00006  -0.01048
   D290       3.13861  -0.00001   0.00031  -0.00033  -0.00003   3.13858
   D291       3.12805   0.00001   0.00082  -0.00015   0.00067   3.12872
   D292      -0.00612  -0.00000   0.00130  -0.00060   0.00071  -0.00541
   D293       0.00938  -0.00001  -0.00011  -0.00016  -0.00027   0.00911
   D294      -3.12555  -0.00000  -0.00086   0.00028  -0.00058  -3.12613
   D295      -3.13967   0.00000  -0.00059   0.00029  -0.00030  -3.13997
   D296       0.00859   0.00001  -0.00135   0.00073  -0.00062   0.00797
         Item               Value     Threshold  Converged?
 Maximum Force            0.000399     0.000450     YES
 RMS     Force            0.000080     0.000300     YES
 Maximum Displacement     0.209265     0.001800     NO 
 RMS     Displacement     0.021639     0.001200     NO 
 Predicted change in Energy=-4.581912D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.039280    2.960378    0.101008
      2          6           0       -2.310844    1.594933    0.041964
      3          6           0       -1.278794    0.639303    0.015956
      4          6           0        0.059100    1.100395    0.031585
      5          6           0        0.323373    2.482356    0.078265
      6          6           0       -0.703246    3.405236    0.120075
      7          6           0       -1.551821   -0.805468   -0.057769
      8          6           0       -0.479957   -1.747971   -0.073692
      9          6           0        0.886170   -1.266564   -0.008558
     10          6           0        1.166214    0.150565    0.011792
     11          6           0       -2.866134   -1.292451   -0.105260
     12          6           0       -3.144435   -2.657437   -0.192271
     13          6           0       -2.080443   -3.576488   -0.227141
     14          6           0       -0.776474   -3.126918   -0.164385
     15          7           0        1.941491   -2.100016    0.024512
     16          6           0        3.228123   -1.646768    0.039015
     17          6           0        3.444967   -0.236317    0.028463
     18          7           0        2.403434    0.625281    0.024574
     19          6           0        4.328395   -2.538914    0.066021
     20          6           0        5.601040   -2.021041    0.070061
     21          6           0        5.838378   -0.612873    0.033173
     22          6           0        4.769427    0.263131    0.011669
     23          7           0       -3.099497    3.893022    0.143735
     24          7           0       -4.479146   -3.105391   -0.246933
     25          7           0        7.165128   -0.137715    0.044050
     26          6           0       -5.028199   -4.145610    0.526014
     27          6           0       -6.398324   -4.285785    0.194647
     28          6           0       -6.692964   -3.297706   -0.823392
     29          6           0       -5.492937   -2.586113   -1.071556
     30          6           0       -3.233692    5.020185   -0.683368
     31          6           0       -4.422060    5.707619   -0.331238
     32          6           0       -5.031927    4.969412    0.756051
     33          6           0       -4.194919    3.857204    1.022848
     34          6           0        7.678784    0.863231    0.888547
     35          6           0        9.054680    1.040668    0.600423
     36          6           0        9.388310    0.118534   -0.466571
     37          6           0        8.205017   -0.591632   -0.786511
     38          6           0       -7.848749   -2.979534   -1.544291
     39          6           0       -7.794609   -1.970969   -2.501865
     40          6           0       -6.592416   -1.290194   -2.752440
     41          6           0       -5.427216   -1.588418   -2.048126
     42          6           0       -4.434090   -4.928981    1.519158
     43          6           0       -5.229132   -5.879491    2.156830
     44          6           0       -6.584014   -6.044041    1.826077
     45          6           0       -7.175179   -5.246591    0.850870
     46          6           0       -6.186589    5.165526    1.521744
     47          6           0       -6.486565    4.264409    2.538859
     48          6           0       -5.636550    3.177806    2.802830
     49          6           0       -4.480802    2.959890    2.055305
     50          6           0       -2.425832    5.452469   -1.738747
     51          6           0       -2.811764    6.604630   -2.421193
     52          6           0       -3.976376    7.308132   -2.072338
     53          6           0       -4.787429    6.861496   -1.033360
     54          6           0       10.565419   -0.143550   -1.175637
     55          6           0       10.547130   -1.095786   -2.190557
     56          6           0        9.360675   -1.775762   -2.509757
     57          6           0        8.174121   -1.531193   -1.820596
     58          6           0        7.048741    1.580494    1.908539
     59          6           0        7.814245    2.500034    2.623432
     60          6           0        9.174358    2.701161    2.337832
     61          6           0        9.800588    1.971057    1.332046
     62          1           0       -3.347853    1.291079   -0.002820
     63          1           0        1.357016    2.805661    0.100499
     64          1           0       -0.490149    4.465815    0.188542
     65          1           0       -3.704166   -0.611693   -0.051428
     66          1           0       -2.279392   -4.636751   -0.328832
     67          1           0        0.022013   -3.864524   -0.193867
     68          1           0        1.857704   -3.210122    0.099779
     69          1           0        4.133943   -3.606899    0.104816
     70          1           0        6.452109   -2.690315    0.124547
     71          1           0        4.912229    1.335671   -0.033603
     72          1           0       -8.773761   -3.518637   -1.361952
     73          1           0       -8.684710   -1.713323   -3.067058
     74          1           0       -6.563833   -0.516424   -3.513642
     75          1           0       -4.501993   -1.068557   -2.268096
     76          1           0       -3.393830   -4.806045    1.796612
     77          1           0       -4.786347   -6.503049    2.927444
     78          1           0       -7.174254   -6.795143    2.341430
     79          1           0       -8.226436   -5.363231    0.604235
     80          1           0       -6.836207    6.013695    1.326225
     81          1           0       -7.380288    4.403774    3.138785
     82          1           0       -5.879956    2.491245    3.608049
     83          1           0       -3.825542    2.126105    2.280255
     84          1           0       -1.533344    4.910145   -2.029203
     85          1           0       -2.197710    6.960623   -3.242986
     86          1           0       -4.247691    8.202697   -2.623956
     87          1           0       -5.695608    7.397109   -0.772709
     88          1           0       11.478983    0.394133   -0.939438
     89          1           0       11.453845   -1.309885   -2.747399
     90          1           0        9.361303   -2.505202   -3.313939
     91          1           0        7.262047   -2.049718   -2.093123
     92          1           0        6.003444    1.426296    2.149461
     93          1           0        7.344609    3.069751    3.419586
     94          1           0        9.741187    3.427246    2.911940
     95          1           0       10.855880    2.115677    1.120058
     96         17           0        2.037995   -5.008916    0.267608
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462008           0.0189341           0.0145367
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7843.5266098427 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.51D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000140    0.000103    0.000178 Ang=  -0.03 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58785683     A.U. after   11 cycles
            NFock= 11  Conv=0.79D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000291180   -0.000121663   -0.000031521
      2        6           0.000113652    0.000036181   -0.000090418
      3        6           0.000251636    0.000435290   -0.000019849
      4        6          -0.000443449   -0.000172338    0.000019788
      5        6          -0.000044292    0.000186349    0.000016512
      6        6          -0.000066045   -0.000194403    0.000002667
      7        6           0.000502778   -0.000563387   -0.000003433
      8        6          -0.000666309    0.000308786    0.000116812
      9        6           0.000216367    0.000420657   -0.000337423
     10        6           0.000048025   -0.000621518   -0.000073038
     11        6           0.000020142   -0.000045600    0.000067493
     12        6          -0.000068301    0.000002542    0.000032578
     13        6           0.000008184    0.000154364   -0.000060441
     14        6           0.000186095   -0.000154330    0.000195919
     15        7           0.000154235    0.001386263    0.000385516
     16        6           0.000051564    0.000240953    0.000110037
     17        6           0.000239659   -0.000268738    0.000026718
     18        7          -0.000101705   -0.000008400    0.000007919
     19        6          -0.000377898    0.000230823   -0.000007657
     20        6           0.000000775    0.000112608    0.000040429
     21        6          -0.000001321   -0.000118331   -0.000060823
     22        6          -0.000028697   -0.000078587    0.000019376
     23        7           0.000056118    0.000043867   -0.000042457
     24        7           0.000554882    0.000175617    0.000168904
     25        7          -0.000213194   -0.000182470    0.000017702
     26        6          -0.000328014   -0.000509619   -0.000027835
     27        6           0.000217550    0.000249185    0.000022454
     28        6           0.000347844    0.000099520    0.000035152
     29        6          -0.000707396   -0.000023147   -0.000185339
     30        6          -0.000314906    0.000264445   -0.000095853
     31        6           0.000160456   -0.000294977   -0.000003013
     32        6           0.000313924    0.000012889   -0.000013700
     33        6          -0.000357014    0.000154052    0.000101914
     34        6           0.000266363    0.000383190    0.000112909
     35        6          -0.000179895   -0.000281092   -0.000036037
     36        6          -0.000314881   -0.000021770   -0.000000132
     37        6           0.000429119    0.000077218   -0.000046354
     38        6           0.000022250    0.000020239    0.000095896
     39        6           0.000224242    0.000063553   -0.000013769
     40        6          -0.000097468   -0.000032901    0.000013826
     41        6           0.000042718   -0.000194980    0.000066926
     42        6          -0.000116935    0.000159265   -0.000101771
     43        6          -0.000095396   -0.000081917   -0.000030018
     44        6           0.000155852    0.000167140    0.000052403
     45        6           0.000038156    0.000025450   -0.000095758
     46        6           0.000028259   -0.000058650   -0.000086639
     47        6           0.000219345   -0.000052648   -0.000008625
     48        6          -0.000065834    0.000016744   -0.000015871
     49        6          -0.000041692    0.000117968   -0.000058370
     50        6          -0.000165265   -0.000073281    0.000126520
     51        6          -0.000051954    0.000051801    0.000022578
     52        6           0.000165409   -0.000158504   -0.000002113
     53        6           0.000064233    0.000002174    0.000091427
     54        6          -0.000031521   -0.000047914    0.000093309
     55        6          -0.000219395   -0.000063531   -0.000020355
     56        6           0.000089854    0.000029946    0.000020366
     57        6           0.000002242    0.000173755    0.000116738
     58        6           0.000180045   -0.000053235   -0.000090897
     59        6           0.000051348    0.000047768   -0.000020470
     60        6          -0.000138499   -0.000162552   -0.000013497
     61        6          -0.000045748    0.000004013   -0.000082253
     62        1          -0.000067433    0.000047042   -0.000020409
     63        1          -0.000011598   -0.000046126   -0.000011355
     64        1          -0.000088777    0.000047279    0.000008814
     65        1          -0.000049483   -0.000007066   -0.000026749
     66        1          -0.000091243   -0.000045175    0.000033449
     67        1          -0.000012965    0.000021730    0.000055072
     68        1           0.000124793   -0.001330134   -0.000433939
     69        1           0.000104058    0.000010388   -0.000009251
     70        1           0.000019277    0.000005160   -0.000040819
     71        1           0.000000402    0.000025028    0.000032530
     72        1          -0.000012952    0.000007980   -0.000045045
     73        1          -0.000035560    0.000007577    0.000022921
     74        1          -0.000024553   -0.000024576   -0.000011675
     75        1           0.000028734    0.000015751    0.000046217
     76        1           0.000046649    0.000054337   -0.000007785
     77        1          -0.000024281   -0.000000108    0.000006520
     78        1          -0.000005814   -0.000039163   -0.000032731
     79        1          -0.000003145   -0.000015052    0.000044238
     80        1          -0.000020857   -0.000010606    0.000054561
     81        1          -0.000033417    0.000000550   -0.000016126
     82        1          -0.000036219    0.000027715    0.000010269
     83        1           0.000017424    0.000003103   -0.000041744
     84        1           0.000076998   -0.000046783    0.000046068
     85        1          -0.000034850    0.000005277   -0.000004458
     86        1          -0.000019419    0.000026288    0.000016628
     87        1          -0.000004029    0.000019129   -0.000044804
     88        1           0.000013522   -0.000001435   -0.000043140
     89        1           0.000033057   -0.000004011    0.000021929
     90        1           0.000017506    0.000025225   -0.000003556
     91        1          -0.000056964   -0.000015866    0.000015114
     92        1          -0.000049643   -0.000022154   -0.000032683
     93        1           0.000030063    0.000006174    0.000004781
     94        1           0.000010543    0.000029313   -0.000015709
     95        1          -0.000000917    0.000012201    0.000041629
     96       17          -0.000270384   -0.000003123   -0.000043820
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001386263 RMS     0.000194036

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000812535 RMS     0.000102771
 Search for a local minimum.
 Step number  18 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18
 DE= -4.59D-05 DEPred=-4.58D-05 R= 1.00D+00
 TightC=F SS=  1.41D+00  RLast= 1.09D-01 DXNew= 5.0454D+00 3.2654D-01
 Trust test= 1.00D+00 RLast= 1.09D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00435   0.00910   0.01600   0.02343   0.02710
     Eigenvalues ---    0.02721   0.02729   0.02734   0.02745   0.02749
     Eigenvalues ---    0.02752   0.02756   0.02770   0.02777   0.02786
     Eigenvalues ---    0.02788   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02795   0.02803   0.02815   0.02816   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02824   0.02828
     Eigenvalues ---    0.02832   0.02834   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02847   0.02852
     Eigenvalues ---    0.02857   0.02858   0.02862   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02888   0.02891   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02900   0.02903   0.02908   0.02910
     Eigenvalues ---    0.02912   0.02926   0.02931   0.02942   0.02945
     Eigenvalues ---    0.02954   0.03018   0.03023   0.03033   0.03095
     Eigenvalues ---    0.03126   0.03127   0.03134   0.03142   0.03150
     Eigenvalues ---    0.03254   0.03431   0.03682   0.05658   0.11628
     Eigenvalues ---    0.15133   0.15910   0.15992   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16025   0.16041
     Eigenvalues ---    0.16069   0.16141   0.16166   0.19764   0.21871
     Eigenvalues ---    0.21998   0.21999   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22339   0.22418   0.22480   0.22543   0.22600
     Eigenvalues ---    0.22600   0.22604   0.22605   0.22636   0.22785
     Eigenvalues ---    0.23501   0.23509   0.23689   0.23865   0.24165
     Eigenvalues ---    0.24474   0.24476   0.24482   0.24510   0.24523
     Eigenvalues ---    0.24604   0.24658   0.24791   0.24915   0.24966
     Eigenvalues ---    0.24970   0.24973   0.24974   0.24975   0.24996
     Eigenvalues ---    0.24998   0.24999   0.25004   0.25022   0.25035
     Eigenvalues ---    0.25114   0.25357   0.25959   0.30545   0.33123
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33313   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33397   0.33399   0.33454   0.33517   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33694
     Eigenvalues ---    0.33846   0.33863   0.33881   0.33890   0.33905
     Eigenvalues ---    0.33908   0.33937   0.33957   0.34291   0.34346
     Eigenvalues ---    0.34773   0.34995   0.35954   0.44448   0.44470
     Eigenvalues ---    0.44651   0.45157   0.47726   0.48364   0.48740
     Eigenvalues ---    0.48952   0.48967   0.49622   0.49726   0.50200
     Eigenvalues ---    0.50315   0.50371   0.50400   0.50595   0.50613
     Eigenvalues ---    0.50682   0.51587   0.52758   0.53213   0.53438
     Eigenvalues ---    0.54070   0.54103   0.54194   0.54200   0.54211
     Eigenvalues ---    0.54683   0.54827   0.55047   0.55217   0.55500
     Eigenvalues ---    0.55625   0.55655   0.55795   0.55903   0.55936
     Eigenvalues ---    0.56081   0.56127   0.56147   0.56176   0.56295
     Eigenvalues ---    0.56517   0.56590   0.56663   0.56665   0.56666
     Eigenvalues ---    0.56679   0.56700   0.56705   0.56836   0.56904
     Eigenvalues ---    0.56914   0.57070   0.57159   0.57161   0.57166
     Eigenvalues ---    0.57174   0.57178   0.57286   0.60840   0.61207
     Eigenvalues ---    0.63195   0.65397   0.66046   0.66077   0.67594
     Eigenvalues ---    0.67714   0.68312   0.69346   0.69921   0.70638
     Eigenvalues ---    0.73834   0.76283
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    18   17   16   15   14   13   12   11   10
 RFO step:  Lambda=-2.31322943D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.89243   -1.29502   -0.28285    0.71835    0.26944
                  RFO-DIIS coefs:   -0.36119   -0.02070    0.08327   -0.00372
 Iteration  1 RMS(Cart)=  0.01632275 RMS(Int)=  0.00005094
 Iteration  2 RMS(Cart)=  0.00008507 RMS(Int)=  0.00003777
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003777
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63322  -0.00016  -0.00027   0.00001  -0.00027   2.63295
    R2        2.66126  -0.00025  -0.00060   0.00004  -0.00056   2.66070
    R3        2.66961   0.00006   0.00093  -0.00017   0.00076   2.67037
    R4        2.65843  -0.00009  -0.00023   0.00013  -0.00010   2.65833
    R5        2.04381   0.00004   0.00014  -0.00010   0.00004   2.04385
    R6        2.67435  -0.00035  -0.00017  -0.00028  -0.00045   2.67390
    R7        2.78203   0.00019  -0.00011   0.00039   0.00029   2.78232
    R8        2.66031   0.00008  -0.00009   0.00017   0.00009   2.66040
    R9        2.75685   0.00013  -0.00026   0.00047   0.00020   2.75705
   R10        2.60988  -0.00010   0.00005  -0.00007  -0.00002   2.60986
   R11        2.04705  -0.00003   0.00003  -0.00010  -0.00007   2.04698
   R12        2.04835   0.00005   0.00007  -0.00000   0.00007   2.04842
   R13        2.69739  -0.00058  -0.00064  -0.00030  -0.00092   2.69646
   R14        2.65022  -0.00007  -0.00008   0.00009   0.00002   2.65024
   R15        2.73997  -0.00007   0.00077  -0.00008   0.00068   2.74066
   R16        2.67090   0.00003  -0.00006   0.00001  -0.00006   2.67085
   R17        2.73005  -0.00062  -0.00105  -0.00008  -0.00113   2.72892
   R18        2.54197  -0.00027  -0.00045  -0.00009  -0.00060   2.54137
   R19        2.50432  -0.00006  -0.00004   0.00006   0.00008   2.50439
   R20        2.63765  -0.00015  -0.00037   0.00002  -0.00035   2.63730
   R21        2.04285   0.00004   0.00008  -0.00005   0.00003   2.04288
   R22        2.65770  -0.00012  -0.00019   0.00006  -0.00013   2.65757
   R23        2.66251  -0.00026   0.00059  -0.00047   0.00012   2.66263
   R24        2.60918  -0.00008   0.00006  -0.00008  -0.00002   2.60916
   R25        2.04761   0.00004   0.00004  -0.00002   0.00002   2.04763
   R26        2.05495  -0.00002  -0.00018   0.00004  -0.00013   2.05482
   R27        2.57798  -0.00008   0.00066  -0.00034   0.00025   2.57823
   R28        2.10856   0.00081   0.00265   0.00297   0.00553   2.11409
   R29        5.51920   0.00044  -0.00247   0.00167  -0.00071   5.51849
   R30        2.69675  -0.00023   0.00014  -0.00011   0.00001   2.69676
   R31        2.67732  -0.00030  -0.00071   0.00004  -0.00069   2.67663
   R32        2.55439   0.00011  -0.00011   0.00013   0.00008   2.55447
   R33        2.67510  -0.00014  -0.00001  -0.00008  -0.00009   2.67501
   R34        2.59646  -0.00004   0.00008  -0.00001   0.00008   2.59653
   R35        2.05269  -0.00001  -0.00012   0.00001  -0.00011   2.05258
   R36        2.69948  -0.00021  -0.00047  -0.00004  -0.00049   2.69899
   R37        2.04860   0.00001   0.00000  -0.00000   0.00000   2.04861
   R38        2.61200  -0.00012  -0.00038   0.00009  -0.00027   2.61172
   R39        2.66321  -0.00014   0.00094  -0.00047   0.00047   2.66368
   R40        2.04648   0.00002   0.00005  -0.00003   0.00002   2.04650
   R41        2.65411  -0.00008  -0.00010   0.00008  -0.00002   2.65409
   R42        2.65510   0.00003  -0.00023   0.00023   0.00000   2.65510
   R43        2.65973   0.00002   0.00006   0.00011   0.00016   2.65989
   R44        2.65735   0.00023   0.00039   0.00024   0.00062   2.65797
   R45        2.65835   0.00005  -0.00013   0.00020   0.00007   2.65842
   R46        2.65723  -0.00000  -0.00006   0.00010   0.00004   2.65727
   R47        2.67695  -0.00036  -0.00032  -0.00016  -0.00048   2.67646
   R48        2.64087  -0.00021  -0.00022  -0.00007  -0.00029   2.64058
   R49        2.73816  -0.00012  -0.00007  -0.00006  -0.00014   2.73802
   R50        2.64378  -0.00007  -0.00024   0.00007  -0.00017   2.64361
   R51        2.67783  -0.00036  -0.00043  -0.00012  -0.00054   2.67728
   R52        2.64343  -0.00006  -0.00021   0.00008  -0.00013   2.64330
   R53        2.64116  -0.00020  -0.00027  -0.00003  -0.00030   2.64086
   R54        2.67834  -0.00033  -0.00032  -0.00010  -0.00042   2.67792
   R55        2.64111  -0.00022  -0.00033  -0.00001  -0.00034   2.64077
   R56        2.73788  -0.00017   0.00003  -0.00018  -0.00014   2.73774
   R57        2.64420  -0.00007  -0.00014   0.00002  -0.00012   2.64408
   R58        2.67833  -0.00030  -0.00031  -0.00005  -0.00035   2.67798
   R59        2.64426  -0.00005  -0.00017   0.00006  -0.00011   2.64415
   R60        2.64080  -0.00013  -0.00032   0.00011  -0.00022   2.64058
   R61        2.67754  -0.00033  -0.00028  -0.00011  -0.00040   2.67715
   R62        2.64008  -0.00018  -0.00022  -0.00003  -0.00025   2.63982
   R63        2.73855  -0.00017  -0.00009  -0.00009  -0.00018   2.73836
   R64        2.64378  -0.00007  -0.00020   0.00007  -0.00013   2.64365
   R65        2.67707  -0.00032  -0.00029  -0.00012  -0.00041   2.67666
   R66        2.64362  -0.00008  -0.00018   0.00004  -0.00014   2.64348
   R67        2.64093  -0.00019  -0.00025  -0.00005  -0.00030   2.64063
   R68        2.63010  -0.00002  -0.00003   0.00004   0.00001   2.63012
   R69        2.05236  -0.00000   0.00002  -0.00002  -0.00000   2.05236
   R70        2.65337  -0.00018  -0.00034   0.00004  -0.00030   2.65307
   R71        2.05112   0.00002   0.00004   0.00000   0.00004   2.05116
   R72        2.63391  -0.00003   0.00006  -0.00001   0.00005   2.63396
   R73        2.05187  -0.00001  -0.00000  -0.00000  -0.00001   2.05186
   R74        2.04814   0.00002   0.00008  -0.00005   0.00002   2.04816
   R75        2.63357  -0.00002   0.00009  -0.00002   0.00007   2.63364
   R76        2.04775   0.00006   0.00007   0.00000   0.00007   2.04782
   R77        2.65382  -0.00017  -0.00037   0.00006  -0.00031   2.65351
   R78        2.05166  -0.00001  -0.00000   0.00000  -0.00000   2.05166
   R79        2.62966  -0.00001  -0.00002   0.00006   0.00005   2.62971
   R80        2.05114   0.00002   0.00003   0.00002   0.00005   2.05119
   R81        2.05240  -0.00000   0.00003  -0.00004  -0.00001   2.05239
   R82        2.62972  -0.00005   0.00001  -0.00001  -0.00000   2.62972
   R83        2.05244  -0.00000   0.00003  -0.00002   0.00001   2.05245
   R84        2.65432  -0.00018  -0.00033   0.00003  -0.00030   2.65402
   R85        2.05109   0.00002   0.00004   0.00001   0.00005   2.05114
   R86        2.63346  -0.00005   0.00007  -0.00006   0.00001   2.63347
   R87        2.05189  -0.00001  -0.00000  -0.00001  -0.00001   2.05188
   R88        2.04856   0.00000   0.00008  -0.00008   0.00000   2.04856
   R89        2.63354  -0.00006   0.00010  -0.00009   0.00001   2.63355
   R90        2.04843   0.00007   0.00002   0.00010   0.00012   2.04855
   R91        2.65433  -0.00016  -0.00033   0.00007  -0.00027   2.65407
   R92        2.05202  -0.00001  -0.00001  -0.00001  -0.00002   2.05200
   R93        2.62989  -0.00003  -0.00002   0.00003   0.00001   2.62990
   R94        2.05115   0.00002   0.00004   0.00002   0.00005   2.05120
   R95        2.05243  -0.00000   0.00004  -0.00003   0.00000   2.05243
   R96        2.63015  -0.00003  -0.00006   0.00006   0.00000   2.63016
   R97        2.05233  -0.00000   0.00003  -0.00003   0.00000   2.05233
   R98        2.65366  -0.00017  -0.00033   0.00006  -0.00028   2.65338
   R99        2.05107   0.00002   0.00004   0.00001   0.00005   2.05111
   R100       2.63389  -0.00004   0.00005  -0.00003   0.00002   2.63391
   R101       2.05172  -0.00001  -0.00001  -0.00001  -0.00001   2.05170
   R102       2.04843   0.00005   0.00006   0.00004   0.00010   2.04853
   R103       2.63386  -0.00006   0.00001  -0.00003  -0.00002   2.63384
   R104       2.04795   0.00005   0.00003   0.00005   0.00008   2.04803
   R105       2.65365  -0.00017  -0.00031   0.00005  -0.00026   2.65339
   R106       2.05189  -0.00001  -0.00001  -0.00000  -0.00001   2.05188
   R107       2.62993  -0.00004  -0.00005   0.00004  -0.00002   2.62991
   R108       2.05111   0.00002   0.00004   0.00000   0.00004   2.05115
   R109       2.05233  -0.00000   0.00003  -0.00003  -0.00000   2.05233
   R110       3.43095  -0.00051  -0.00474  -0.00146  -0.00629   3.42466
    A1        2.08864   0.00008   0.00068  -0.00022   0.00047   2.08910
    A2        2.09664   0.00003  -0.00050   0.00038  -0.00013   2.09652
    A3        2.09791  -0.00011  -0.00018  -0.00016  -0.00034   2.09756
    A4        2.12171  -0.00003  -0.00037   0.00009  -0.00028   2.12143
    A5        2.05321  -0.00006  -0.00012  -0.00013  -0.00025   2.05296
    A6        2.10808   0.00009   0.00050   0.00002   0.00053   2.10861
    A7        2.06237   0.00001  -0.00014   0.00012  -0.00003   2.06234
    A8        2.13119   0.00001  -0.00005   0.00001  -0.00004   2.13115
    A9        2.08935  -0.00001   0.00024  -0.00013   0.00012   2.08947
   A10        2.09171   0.00004   0.00040  -0.00019   0.00021   2.09192
   A11        2.10036  -0.00007  -0.00015  -0.00004  -0.00019   2.10016
   A12        2.09108   0.00003  -0.00025   0.00024  -0.00000   2.09108
   A13        2.11465  -0.00007  -0.00032   0.00012  -0.00021   2.11444
   A14        2.06325   0.00000  -0.00020  -0.00005  -0.00024   2.06301
   A15        2.10510   0.00007   0.00052  -0.00007   0.00046   2.10556
   A16        2.08715  -0.00002  -0.00026   0.00008  -0.00018   2.08697
   A17        2.09029  -0.00008  -0.00044  -0.00002  -0.00045   2.08984
   A18        2.10552   0.00010   0.00071  -0.00007   0.00065   2.10616
   A19        2.10516  -0.00004  -0.00003   0.00008   0.00007   2.10523
   A20        2.11329  -0.00000  -0.00037  -0.00004  -0.00042   2.11287
   A21        2.06471   0.00005   0.00038  -0.00004   0.00034   2.06505
   A22        2.08035   0.00005  -0.00011   0.00022   0.00011   2.08046
   A23        2.07989   0.00016  -0.00003   0.00019   0.00017   2.08006
   A24        2.12290  -0.00021   0.00014  -0.00041  -0.00027   2.12263
   A25        2.10478   0.00007   0.00012  -0.00021  -0.00004   2.10474
   A26        2.13480  -0.00030  -0.00029  -0.00045  -0.00066   2.13414
   A27        2.04357   0.00023   0.00020   0.00067   0.00072   2.04429
   A28        2.08489   0.00001   0.00027   0.00018   0.00044   2.08533
   A29        2.06591   0.00007  -0.00039   0.00016  -0.00021   2.06571
   A30        2.13234  -0.00008   0.00011  -0.00033  -0.00022   2.13212
   A31        2.12769  -0.00009  -0.00038  -0.00004  -0.00041   2.12727
   A32        2.10151   0.00007   0.00011   0.00009   0.00019   2.10170
   A33        2.05372   0.00001   0.00025  -0.00005   0.00019   2.05392
   A34        2.08261   0.00006   0.00025  -0.00005   0.00020   2.08282
   A35        2.09696   0.00005  -0.00008   0.00015   0.00007   2.09703
   A36        2.10360  -0.00011  -0.00017  -0.00009  -0.00027   2.10333
   A37        2.09507  -0.00002  -0.00006   0.00009   0.00003   2.09510
   A38        2.09770  -0.00008  -0.00043  -0.00006  -0.00049   2.09720
   A39        2.09010   0.00010   0.00049  -0.00001   0.00048   2.09058
   A40        2.11615  -0.00016  -0.00017  -0.00016  -0.00032   2.11583
   A41        2.10536   0.00006   0.00075  -0.00042   0.00034   2.10570
   A42        2.06165   0.00010  -0.00062   0.00059  -0.00003   2.06162
   A43        2.13451  -0.00002   0.00024  -0.00060  -0.00011   2.13440
   A44        2.16419  -0.00017   0.00150  -0.00120   0.00050   2.16469
   A45        2.27192  -0.00062   0.00169  -0.00186   0.00017   2.27209
   A46        1.98302   0.00020  -0.00230   0.00178  -0.00028   1.98274
   A47        1.87429   0.00063  -0.00264   0.00239   0.00010   1.87439
   A48        2.06191  -0.00010  -0.00059   0.00039  -0.00035   2.06156
   A49        2.12167   0.00011   0.00108  -0.00041   0.00078   2.12244
   A50        2.09961  -0.00001  -0.00049   0.00002  -0.00043   2.09918
   A51        2.10939  -0.00001   0.00015   0.00000   0.00013   2.10952
   A52        2.08400   0.00005   0.00038   0.00002   0.00038   2.08438
   A53        2.08977  -0.00004  -0.00054  -0.00002  -0.00052   2.08925
   A54        2.08409  -0.00002   0.00002  -0.00009  -0.00002   2.08407
   A55        2.07377   0.00003   0.00038  -0.00002   0.00033   2.07411
   A56        2.07234   0.00009   0.00051   0.00025   0.00078   2.07312
   A57        2.13683  -0.00012  -0.00091  -0.00024  -0.00112   2.13570
   A58        2.12394  -0.00004  -0.00009   0.00001  -0.00008   2.12385
   A59        2.08819   0.00003   0.00014  -0.00011   0.00004   2.08822
   A60        2.07082   0.00001  -0.00005   0.00011   0.00005   2.07087
   A61        2.09054   0.00001   0.00012  -0.00003   0.00010   2.09064
   A62        2.08124   0.00001   0.00002  -0.00005  -0.00003   2.08122
   A63        2.11122  -0.00001  -0.00014   0.00008  -0.00007   2.11115
   A64        2.09414  -0.00005  -0.00023  -0.00000  -0.00025   2.09390
   A65        2.06382   0.00003  -0.00014   0.00010  -0.00004   2.06379
   A66        2.12510   0.00002   0.00037  -0.00010   0.00028   2.12537
   A67        2.19410  -0.00004   0.00014  -0.00019  -0.00005   2.19405
   A68        2.19841   0.00010  -0.00008   0.00025   0.00017   2.19858
   A69        1.89066  -0.00006  -0.00006  -0.00006  -0.00012   1.89054
   A70        2.19349  -0.00001   0.00033  -0.00016   0.00017   2.19366
   A71        2.19975   0.00012  -0.00016   0.00026   0.00011   2.19986
   A72        1.88991  -0.00011  -0.00018  -0.00010  -0.00028   1.88963
   A73        2.19973   0.00005  -0.00004   0.00011   0.00007   2.19979
   A74        2.19298   0.00002   0.00009  -0.00008   0.00002   2.19300
   A75        1.89046  -0.00007  -0.00005  -0.00003  -0.00008   1.89038
   A76        1.89861   0.00001   0.00006   0.00003   0.00009   1.89871
   A77        2.26364  -0.00018  -0.00012  -0.00029  -0.00040   2.26324
   A78        2.11994   0.00017   0.00004   0.00023   0.00027   2.12021
   A79        1.86873   0.00007   0.00005   0.00004   0.00008   1.86882
   A80        2.08899  -0.00007  -0.00002  -0.00011  -0.00012   2.08886
   A81        2.32535   0.00000  -0.00001   0.00006   0.00006   2.32540
   A82        1.86845   0.00007   0.00010   0.00006   0.00017   1.86862
   A83        2.32567  -0.00001  -0.00004   0.00002  -0.00002   2.32565
   A84        2.08890  -0.00006  -0.00004  -0.00008  -0.00013   2.08877
   A85        1.89905  -0.00005  -0.00003  -0.00004  -0.00006   1.89899
   A86        2.26458  -0.00009  -0.00014  -0.00013  -0.00026   2.26432
   A87        2.11841   0.00014   0.00014   0.00015   0.00029   2.11871
   A88        1.89975   0.00001   0.00004  -0.00001   0.00003   1.89978
   A89        2.26229  -0.00016  -0.00039  -0.00008  -0.00047   2.26182
   A90        2.12028   0.00015   0.00040   0.00007   0.00048   2.12075
   A91        1.86739   0.00005  -0.00002   0.00007   0.00005   1.86744
   A92        2.08776  -0.00008  -0.00033   0.00001  -0.00032   2.08744
   A93        2.32791   0.00003   0.00037  -0.00008   0.00029   2.32820
   A94        1.86765   0.00003  -0.00006   0.00008   0.00001   1.86767
   A95        2.32760   0.00002   0.00044  -0.00017   0.00027   2.32786
   A96        2.08782  -0.00005  -0.00035   0.00009  -0.00026   2.08756
   A97        1.89932  -0.00002   0.00010  -0.00008   0.00002   1.89934
   A98        2.26287  -0.00006  -0.00051   0.00021  -0.00030   2.26257
   A99        2.12016   0.00009   0.00045  -0.00014   0.00032   2.12047
   A100       1.89822  -0.00003   0.00003  -0.00007  -0.00004   1.89818
   A101       2.26390  -0.00008  -0.00015  -0.00007  -0.00022   2.26368
   A102       2.12010   0.00011   0.00014   0.00013   0.00028   2.12038
   A103       1.86878   0.00006   0.00001   0.00007   0.00008   1.86886
   A104       2.08826  -0.00005  -0.00012  -0.00005  -0.00017   2.08809
   A105       2.32603  -0.00001   0.00013  -0.00002   0.00011   2.32614
   A106       1.86813   0.00006   0.00001   0.00007   0.00007   1.86820
   A107       2.32692  -0.00000   0.00013   0.00001   0.00014   2.32707
   A108       2.08799  -0.00005  -0.00012  -0.00008  -0.00019   2.08779
   A109       1.89916  -0.00002   0.00001  -0.00004  -0.00003   1.89913
   A110       2.26235  -0.00010  -0.00011  -0.00017  -0.00028   2.26207
   A111       2.12070   0.00012   0.00012   0.00019   0.00032   2.12102
   A112       2.07974  -0.00002  -0.00005  -0.00003  -0.00008   2.07966
   A113       2.09936   0.00005   0.00006   0.00015   0.00021   2.09957
   A114       2.10406  -0.00003  -0.00001  -0.00012  -0.00013   2.10393
   A115       2.10300   0.00003   0.00012   0.00004   0.00015   2.10315
   A116       2.09252  -0.00004  -0.00009  -0.00008  -0.00017   2.09235
   A117       2.08762   0.00000  -0.00002   0.00004   0.00002   2.08764
   A118       2.11982  -0.00008  -0.00016  -0.00003  -0.00019   2.11962
   A119       2.08652   0.00001   0.00003  -0.00002   0.00001   2.08652
   A120       2.07684   0.00008   0.00013   0.00006   0.00019   2.07703
   A121       2.05613  -0.00001  -0.00002  -0.00005  -0.00007   2.05606
   A122       2.12275  -0.00004  -0.00015   0.00001  -0.00015   2.12260
   A123       2.10420   0.00005   0.00017   0.00005   0.00022   2.10442
   A124       2.05440  -0.00003   0.00002  -0.00010  -0.00008   2.05432
   A125       2.12525  -0.00003  -0.00007  -0.00009  -0.00016   2.12509
   A126       2.10352   0.00006   0.00005   0.00019   0.00024   2.10375
   A127       2.12063  -0.00008  -0.00015  -0.00003  -0.00018   2.12045
   A128       2.07583   0.00006   0.00010   0.00002   0.00012   2.07595
   A129       2.08673   0.00002   0.00005   0.00001   0.00006   2.08678
   A130       2.10339   0.00003   0.00009   0.00004   0.00013   2.10352
   A131       2.08736   0.00000   0.00002   0.00003   0.00005   2.08741
   A132       2.09241  -0.00004  -0.00011  -0.00007  -0.00018   2.09223
   A133       2.07874  -0.00002  -0.00002  -0.00004  -0.00006   2.07868
   A134       2.09985   0.00005   0.00008   0.00012   0.00021   2.10005
   A135       2.10459  -0.00003  -0.00007  -0.00008  -0.00015   2.10444
   A136       2.07953  -0.00000   0.00001  -0.00001  -0.00000   2.07953
   A137       2.09960   0.00006   0.00019   0.00011   0.00030   2.09989
   A138       2.10404  -0.00005  -0.00020  -0.00010  -0.00030   2.10374
   A139       2.10348   0.00004   0.00027  -0.00004   0.00023   2.10371
   A140       2.09248  -0.00004  -0.00019  -0.00006  -0.00026   2.09222
   A141       2.08720   0.00000  -0.00007   0.00010   0.00003   2.08723
   A142       2.12005  -0.00008  -0.00029   0.00002  -0.00027   2.11978
   A143       2.08617  -0.00000  -0.00006  -0.00001  -0.00007   2.08609
   A144       2.07697   0.00009   0.00036  -0.00001   0.00034   2.07731
   A145       2.05507   0.00001  -0.00008   0.00007  -0.00001   2.05505
   A146       2.12178  -0.00005  -0.00046   0.00012  -0.00035   2.12143
   A147       2.10629   0.00004   0.00054  -0.00019   0.00036   2.10664
   A148       2.05491  -0.00001  -0.00005  -0.00005  -0.00010   2.05481
   A149       2.12176  -0.00006  -0.00044   0.00007  -0.00037   2.12139
   A150       2.10647   0.00007   0.00049  -0.00002   0.00047   2.10694
   A151       2.12007  -0.00009  -0.00029   0.00002  -0.00028   2.11979
   A152       2.07720   0.00008   0.00037  -0.00008   0.00028   2.07749
   A153       2.08591   0.00001  -0.00007   0.00006  -0.00001   2.08590
   A154       2.10353   0.00005   0.00025   0.00001   0.00026   2.10379
   A155       2.08727   0.00000  -0.00008   0.00009   0.00001   2.08728
   A156       2.09236  -0.00005  -0.00017  -0.00010  -0.00027   2.09209
   A157       2.07955  -0.00002   0.00002  -0.00006  -0.00004   2.07951
   A158       2.09971   0.00006   0.00017   0.00009   0.00026   2.09997
   A159       2.10391  -0.00004  -0.00019  -0.00003  -0.00022   2.10369
   A160       2.07913  -0.00002  -0.00000  -0.00004  -0.00005   2.07908
   A161       2.09996   0.00005   0.00009   0.00010   0.00020   2.10015
   A162       2.10408  -0.00003  -0.00009  -0.00006  -0.00015   2.10393
   A163       2.10383   0.00004   0.00015   0.00004   0.00019   2.10402
   A164       2.09219  -0.00004  -0.00013  -0.00008  -0.00021   2.09198
   A165       2.08712   0.00000  -0.00002   0.00004   0.00003   2.08715
   A166       2.11989  -0.00008  -0.00021  -0.00001  -0.00022   2.11967
   A167       2.08656   0.00001   0.00001   0.00002   0.00003   2.08659
   A168       2.07672   0.00007   0.00020  -0.00001   0.00019   2.07691
   A169       2.05445  -0.00000   0.00004  -0.00010  -0.00006   2.05439
   A170       2.12496  -0.00004  -0.00021  -0.00000  -0.00021   2.12475
   A171       2.10372   0.00004   0.00017   0.00010   0.00027   2.10399
   A172       2.05500   0.00000   0.00002  -0.00007  -0.00004   2.05496
   A173       2.12262  -0.00004  -0.00033   0.00011  -0.00023   2.12239
   A174       2.10551   0.00003   0.00031  -0.00004   0.00027   2.10578
   A175       2.12015  -0.00008  -0.00020   0.00000  -0.00020   2.11995
   A176       2.07681   0.00007   0.00023  -0.00003   0.00020   2.07701
   A177       2.08622   0.00001  -0.00002   0.00002  -0.00000   2.08621
   A178       2.10328   0.00003   0.00016   0.00001   0.00018   2.10346
   A179       2.08754   0.00000  -0.00003   0.00004   0.00001   2.08755
   A180       2.09234  -0.00003  -0.00013  -0.00006  -0.00019   2.09215
   A181       2.07935  -0.00002  -0.00002  -0.00004  -0.00005   2.07930
   A182       2.09965   0.00005   0.00014   0.00008   0.00022   2.09987
   A183       2.10417  -0.00003  -0.00012  -0.00004  -0.00017   2.10400
    D1        0.01290  -0.00000  -0.00061   0.00033  -0.00029   0.01262
    D2       -3.10845  -0.00002  -0.00124   0.00111  -0.00013  -3.10858
    D3       -3.12687  -0.00000   0.00002  -0.00018  -0.00016  -3.12703
    D4        0.03496  -0.00002  -0.00060   0.00060  -0.00001   0.03496
    D5        0.00145   0.00002   0.00181  -0.00015   0.00167   0.00311
    D6       -3.11759   0.00000   0.00094  -0.00001   0.00094  -3.11665
    D7        3.14122   0.00002   0.00118   0.00036   0.00154  -3.14043
    D8        0.02218   0.00000   0.00031   0.00050   0.00081   0.02299
    D9       -2.26604  -0.00001   0.00241   0.00035   0.00276  -2.26328
   D10        0.88165  -0.00001   0.00213   0.00044   0.00256   0.88422
   D11        0.87739  -0.00001   0.00305  -0.00017   0.00288   0.88027
   D12       -2.25811  -0.00001   0.00276  -0.00008   0.00269  -2.25542
   D13       -0.01596  -0.00002  -0.00144  -0.00045  -0.00189  -0.01785
   D14       -3.13244  -0.00007  -0.00372  -0.00019  -0.00392  -3.13636
   D15        3.10477  -0.00001  -0.00080  -0.00126  -0.00206   3.10271
   D16       -0.01171  -0.00006  -0.00309  -0.00099  -0.00409  -0.01580
   D17        0.00501   0.00003   0.00231   0.00039   0.00271   0.00772
   D18        3.13689   0.00005   0.00352   0.00090   0.00442   3.14131
   D19        3.12211   0.00008   0.00454   0.00014   0.00469   3.12680
   D20       -0.02919   0.00009   0.00574   0.00065   0.00640  -0.02279
   D21       -3.13451  -0.00007  -0.00203  -0.00229  -0.00432  -3.13883
   D22       -0.00025  -0.00010  -0.00331  -0.00256  -0.00586  -0.00611
   D23        0.03258  -0.00012  -0.00435  -0.00203  -0.00638   0.02620
   D24       -3.11635  -0.00015  -0.00562  -0.00230  -0.00793  -3.12427
   D25        0.00904  -0.00002  -0.00116  -0.00023  -0.00140   0.00764
   D26        3.12979  -0.00000  -0.00061  -0.00001  -0.00063   3.12917
   D27       -3.12289  -0.00003  -0.00236  -0.00073  -0.00309  -3.12599
   D28       -0.00214  -0.00002  -0.00181  -0.00052  -0.00232  -0.00446
   D29       -0.01223   0.00005  -0.00020   0.00132   0.00114  -0.01109
   D30        3.13914   0.00004  -0.00060   0.00051  -0.00005   3.13909
   D31        3.11966   0.00006   0.00101   0.00182   0.00284   3.12250
   D32       -0.01216   0.00005   0.00061   0.00101   0.00166  -0.01050
   D33       -0.01232  -0.00001  -0.00093   0.00010  -0.00082  -0.01315
   D34        3.10651   0.00000  -0.00007  -0.00004  -0.00010   3.10641
   D35       -3.13258  -0.00002  -0.00148  -0.00012  -0.00161  -3.13418
   D36       -0.01374  -0.00001  -0.00063  -0.00026  -0.00089  -0.01463
   D37        0.00611  -0.00000  -0.00268   0.00138  -0.00131   0.00481
   D38       -3.12589  -0.00006  -0.00310   0.00084  -0.00226  -3.12816
   D39       -3.12835   0.00003  -0.00144   0.00165   0.00020  -3.12815
   D40        0.02283  -0.00003  -0.00186   0.00110  -0.00075   0.02208
   D41        3.12728   0.00005   0.00277  -0.00075   0.00202   3.12930
   D42       -0.03965   0.00003   0.00166  -0.00081   0.00085  -0.03879
   D43       -0.02148   0.00002   0.00153  -0.00101   0.00051  -0.02097
   D44        3.09478   0.00000   0.00042  -0.00108  -0.00066   3.09412
   D45       -0.04814   0.00014   0.00832   0.00062   0.00896  -0.03918
   D46        3.10299   0.00007   0.00596   0.00039   0.00637   3.10936
   D47        3.08363   0.00020   0.00875   0.00118   0.00994   3.09357
   D48       -0.04843   0.00014   0.00640   0.00095   0.00735  -0.04109
   D49       -0.00883   0.00004   0.00115  -0.00042   0.00071  -0.00811
   D50        3.12500   0.00006   0.00040  -0.00064  -0.00024   3.12476
   D51       -3.14059  -0.00002   0.00072  -0.00098  -0.00027  -3.14086
   D52       -0.00676  -0.00001  -0.00003  -0.00119  -0.00122  -0.00798
   D53        0.05150  -0.00016  -0.00695  -0.00198  -0.00894   0.04256
   D54       -3.10025  -0.00016  -0.00654  -0.00113  -0.00771  -3.10796
   D55       -3.09914  -0.00010  -0.00474  -0.00176  -0.00648  -3.10562
   D56        0.03229  -0.00010  -0.00433  -0.00091  -0.00525   0.02704
   D57        3.10100   0.00018   0.00407   0.00174   0.00583   3.10683
   D58       -0.10247   0.00032   0.00676   0.00140   0.00824  -0.09424
   D59       -0.12594   0.00013   0.00843   0.00061   0.00882  -0.11712
   D60       -0.03137   0.00011   0.00181   0.00152   0.00332  -0.02805
   D61        3.04834   0.00026   0.00450   0.00117   0.00573   3.05407
   D62        3.02487   0.00006   0.00617   0.00039   0.00631   3.03118
   D63        3.12310   0.00002   0.00294   0.00055   0.00347   3.12657
   D64       -0.00844   0.00001   0.00253  -0.00029   0.00225  -0.00619
   D65        0.00551  -0.00001  -0.00040   0.00021  -0.00019   0.00533
   D66       -3.13399  -0.00003  -0.00007  -0.00036  -0.00043  -3.13443
   D67       -3.11141   0.00001   0.00068   0.00028   0.00095  -3.11046
   D68        0.03227  -0.00001   0.00101  -0.00030   0.00070   0.03297
   D69        0.00929   0.00001  -0.00040   0.00050   0.00011   0.00940
   D70       -3.10489  -0.00004  -0.00054  -0.00005  -0.00059  -3.10549
   D71       -3.13440   0.00003  -0.00072   0.00108   0.00036  -3.13404
   D72        0.03461  -0.00002  -0.00087   0.00052  -0.00034   0.03426
   D73       -2.31033  -0.00004  -0.00116  -0.00051  -0.00168  -2.31201
   D74        0.82150  -0.00004  -0.00135  -0.00030  -0.00166   0.81984
   D75        0.83337  -0.00006  -0.00083  -0.00110  -0.00193   0.83144
   D76       -2.31799  -0.00006  -0.00102  -0.00089  -0.00191  -2.31989
   D77       -0.00746  -0.00003   0.00000  -0.00039  -0.00039  -0.00785
   D78       -3.14148  -0.00004   0.00072  -0.00018   0.00054  -3.14094
   D79        3.10684   0.00002   0.00014   0.00016   0.00030   3.10714
   D80       -0.02718   0.00000   0.00085   0.00037   0.00123  -0.02595
   D81        0.00829  -0.00005   0.00213  -0.00094   0.00122   0.00951
   D82       -3.13507  -0.00004   0.00242  -0.00122   0.00124  -3.13382
   D83       -3.07731  -0.00017  -0.00052  -0.00054  -0.00099  -3.07830
   D84        0.06252  -0.00016  -0.00023  -0.00082  -0.00096   0.06156
   D85       -3.06499   0.00004  -0.00101   0.00012  -0.00118  -3.06617
   D86        0.07484   0.00005  -0.00072  -0.00016  -0.00115   0.07368
   D87        0.01708  -0.00005  -0.00404  -0.00035  -0.00442   0.01266
   D88       -3.11613  -0.00002  -0.00266  -0.00011  -0.00276  -3.11889
   D89       -3.12277  -0.00006  -0.00433  -0.00007  -0.00445  -3.12722
   D90        0.02721  -0.00003  -0.00295   0.00017  -0.00279   0.02442
   D91        3.13369   0.00002   0.00166   0.00044   0.00210   3.13580
   D92       -0.03106   0.00001   0.00171   0.00017   0.00188  -0.02918
   D93       -0.00971   0.00003   0.00197   0.00015   0.00213  -0.00757
   D94        3.10873   0.00002   0.00202  -0.00012   0.00191   3.11064
   D95       -0.01635   0.00007   0.00168   0.00093   0.00262  -0.01373
   D96        3.11684   0.00004   0.00030   0.00069   0.00096   3.11780
   D97       -0.02301   0.00001   0.00176  -0.00032   0.00144  -0.02157
   D98        3.10230   0.00002   0.00123  -0.00019   0.00103   3.10333
   D99        3.12687   0.00004   0.00312  -0.00009   0.00308   3.12995
   D100      -0.03101   0.00005   0.00259   0.00004   0.00267  -0.02834
   D101      -0.01203  -0.00001   0.00019  -0.00032  -0.00015  -0.01218
   D102       3.10555   0.00000   0.00025  -0.00004   0.00020   3.10575
   D103      -3.12956  -0.00000   0.00010  -0.00005   0.00006  -3.12951
   D104      -0.01199   0.00001   0.00016   0.00024   0.00041  -0.01158
   D105       0.01626  -0.00001  -0.00136   0.00017  -0.00119   0.01507
   D106       3.13769  -0.00002  -0.00121   0.00017  -0.00104   3.13665
   D107      -3.10155  -0.00003  -0.00142  -0.00011  -0.00154  -3.10309
   D108       0.01988  -0.00003  -0.00127  -0.00011  -0.00138   0.01850
   D109       0.00183   0.00001   0.00034   0.00016   0.00050   0.00233
   D110      -3.12290   0.00000   0.00089   0.00002   0.00093  -3.12196
   D111      -3.11925   0.00002   0.00018   0.00016   0.00035  -3.11890
   D112       0.03922   0.00001   0.00074   0.00003   0.00078   0.03999
   D113      -2.27937  -0.00004   0.00092  -0.00116  -0.00025  -2.27963
   D114       0.85581  -0.00003   0.00126  -0.00112   0.00014   0.85595
   D115       0.84181  -0.00005   0.00107  -0.00117  -0.00010   0.84171
   D116      -2.30619  -0.00004   0.00141  -0.00112   0.00029  -2.30590
   D117      -3.13717  -0.00001  -0.00016  -0.00021  -0.00037  -3.13753
   D118       0.04931  -0.00002  -0.00161   0.00036  -0.00125   0.04807
   D119      -0.00077  -0.00001   0.00008  -0.00028  -0.00020  -0.00098
   D120      -3.09748  -0.00002  -0.00137   0.00028  -0.00108  -3.09856
   D121       3.13494   0.00000   0.00008   0.00016   0.00025   3.13519
   D122       0.03751  -0.00001  -0.00120   0.00055  -0.00064   0.03687
   D123      -0.00143   0.00001  -0.00016   0.00024   0.00009  -0.00135
   D124      -3.09886  -0.00001  -0.00144   0.00062  -0.00081  -3.09967
   D125       3.13006   0.00000   0.00022  -0.00005   0.00017   3.13023
   D126       0.03663   0.00002   0.00047   0.00057   0.00105   0.03768
   D127      -0.00322   0.00000   0.00039  -0.00024   0.00015  -0.00307
   D128      -3.09664   0.00002   0.00063   0.00039   0.00103  -3.09562
   D129      -3.13309  -0.00001  -0.00021  -0.00006  -0.00027  -3.13336
   D130       0.06026   0.00000   0.00008   0.00027   0.00035   0.06061
   D131       0.00015  -0.00000  -0.00038   0.00012  -0.00025  -0.00010
   D132      -3.08969   0.00001  -0.00008   0.00045   0.00037  -3.08932
   D133       3.12904  -0.00000   0.00013  -0.00004   0.00009   3.12913
   D134       0.03484  -0.00000  -0.00047   0.00027  -0.00019   0.03465
   D135      -0.00707  -0.00001  -0.00016  -0.00008  -0.00024  -0.00732
   D136      -3.10128  -0.00001  -0.00076   0.00024  -0.00052  -3.10180
   D137      -3.13172  -0.00000  -0.00012  -0.00008  -0.00020  -3.13192
   D138       0.05760   0.00000  -0.00083   0.00046  -0.00037   0.05723
   D139       0.00441   0.00001   0.00018  -0.00004   0.00013   0.00455
   D140      -3.08945   0.00001  -0.00054   0.00050  -0.00003  -3.08949
   D141       0.00494   0.00000  -0.00025   0.00025   0.00000   0.00495
   D142      -3.12225  -0.00000  -0.00130   0.00043  -0.00087  -3.12312
   D143       3.10309  -0.00003  -0.00048  -0.00033  -0.00081   3.10228
   D144      -0.02410  -0.00003  -0.00154  -0.00015  -0.00169  -0.02579
   D145       3.11293  -0.00000   0.00083  -0.00054   0.00028   3.11322
   D146      -0.02188  -0.00001   0.00145  -0.00080   0.00065  -0.02123
   D147       0.02481   0.00003   0.00111   0.00016   0.00127   0.02607
   D148      -3.11001   0.00002   0.00173  -0.00010   0.00163  -3.10838
   D149      -0.00478  -0.00001   0.00001  -0.00017  -0.00016  -0.00494
   D150       3.11677   0.00000   0.00123  -0.00027   0.00097   3.11773
   D151       3.11964   0.00000   0.00127  -0.00038   0.00089   3.12053
   D152      -0.04200   0.00001   0.00249  -0.00048   0.00201  -0.03999
   D153       0.00608   0.00002   0.00093   0.00007   0.00100   0.00707
   D154      -3.14078   0.00000   0.00047  -0.00008   0.00039  -3.14038
   D155      -3.11662   0.00001  -0.00045   0.00030  -0.00015  -3.11678
   D156       0.01971  -0.00001  -0.00091   0.00015  -0.00076   0.01895
   D157       0.00288   0.00001   0.00022   0.00003   0.00025   0.00313
   D158       3.09787  -0.00001  -0.00006  -0.00027  -0.00033   3.09754
   D159      -3.12191  -0.00000  -0.00080   0.00011  -0.00069  -3.12260
   D160      -0.02692  -0.00002  -0.00108  -0.00019  -0.00127  -0.02819
   D161      -3.11243   0.00000  -0.00054   0.00017  -0.00037  -3.11279
   D162       0.02210  -0.00001  -0.00101   0.00008  -0.00092   0.02117
   D163       0.00711   0.00001   0.00081   0.00006   0.00087   0.00798
   D164      -3.14156   0.00000   0.00034  -0.00002   0.00032  -3.14124
   D165       3.11085  -0.00000   0.00038  -0.00018   0.00019   3.11105
   D166      -0.01495  -0.00002   0.00048  -0.00045   0.00002  -0.01493
   D167       0.02665   0.00002   0.00071   0.00018   0.00090   0.02754
   D168      -3.09916  -0.00000   0.00081  -0.00008   0.00072  -3.09843
   D169       0.00261   0.00001   0.00003   0.00021   0.00024   0.00285
   D170      -3.12423  -0.00001  -0.00123   0.00012  -0.00112  -3.12534
   D171       3.10366   0.00001   0.00130  -0.00030   0.00100   3.10467
   D172      -0.02317  -0.00001   0.00004  -0.00040  -0.00035  -0.02352
   D173       3.11526   0.00001   0.00120  -0.00027   0.00092   3.11619
   D174      -0.01581  -0.00001   0.00098  -0.00028   0.00069  -0.01512
   D175       0.02349   0.00000  -0.00039   0.00036  -0.00004   0.02345
   D176      -3.10758  -0.00001  -0.00062   0.00035  -0.00027  -3.10786
   D177      -0.00344  -0.00001  -0.00012  -0.00006  -0.00018  -0.00362
   D178       3.12116   0.00001   0.00128  -0.00001   0.00128   3.12244
   D179       3.12051   0.00001   0.00137   0.00005   0.00143   3.12194
   D180      -0.03808   0.00003   0.00277   0.00010   0.00289  -0.03520
   D181       0.00601   0.00001   0.00042   0.00016   0.00057   0.00658
   D182      -3.14134   0.00000   0.00007   0.00013   0.00021  -3.14113
   D183      -3.11617  -0.00001  -0.00123   0.00003  -0.00120  -3.11737
   D184       0.01967  -0.00002  -0.00157   0.00001  -0.00157   0.01810
   D185       0.00301   0.00000   0.00017  -0.00011   0.00006   0.00307
   D186       3.10474   0.00001   0.00129  -0.00045   0.00085   3.10559
   D187      -3.12436  -0.00001  -0.00102  -0.00015  -0.00116  -3.12553
   D188      -0.02264  -0.00001   0.00011  -0.00048  -0.00037  -0.02301
   D189      -3.11670  -0.00001  -0.00119   0.00014  -0.00105  -3.11775
   D190       0.01953  -0.00002  -0.00143  -0.00001  -0.00144   0.01808
   D191       0.00619   0.00001   0.00036   0.00020   0.00056   0.00675
   D192      -3.14077  -0.00000   0.00012   0.00005   0.00016  -3.14060
   D193       3.11485   0.00001   0.00099  -0.00001   0.00097   3.11582
   D194      -0.01573   0.00000   0.00096  -0.00006   0.00091  -0.01483
   D195       0.02228   0.00000  -0.00042   0.00041  -0.00001   0.02226
   D196      -3.10831  -0.00001  -0.00044   0.00037  -0.00008  -3.10839
   D197       0.00691   0.00001   0.00009   0.00017   0.00025   0.00716
   D198      -3.12022  -0.00001  -0.00096   0.00005  -0.00091  -3.12113
   D199       3.10576   0.00000   0.00061  -0.00012   0.00049   3.10625
   D200      -0.02137  -0.00001  -0.00043  -0.00024  -0.00067  -0.02203
   D201       3.10885   0.00000   0.00080  -0.00017   0.00063   3.10948
   D202      -0.02187  -0.00001   0.00075  -0.00035   0.00039  -0.02148
   D203       0.01987   0.00001   0.00014   0.00019   0.00033   0.02020
   D204      -3.11085  -0.00001   0.00009   0.00000   0.00009  -3.11076
   D205      -0.00415  -0.00001   0.00002  -0.00019  -0.00017  -0.00432
   D206       3.11834   0.00000   0.00152  -0.00033   0.00119   3.11953
   D207       3.12018   0.00001   0.00126  -0.00005   0.00121   3.12139
   D208      -0.04052   0.00002   0.00276  -0.00019   0.00257  -0.03795
   D209       0.00639   0.00001   0.00052   0.00011   0.00063   0.00702
   D210      -3.14154   0.00000   0.00025   0.00004   0.00029  -3.14125
   D211      -3.11621  -0.00001  -0.00085  -0.00005  -0.00089  -3.11711
   D212       0.01905  -0.00002  -0.00112  -0.00011  -0.00123   0.01781
   D213      -0.00013  -0.00000  -0.00012   0.00015   0.00002  -0.00011
   D214       3.09835  -0.00001   0.00051  -0.00035   0.00016   3.09851
   D215      -3.12573  -0.00001  -0.00138   0.00026  -0.00112  -3.12685
   D216      -0.02725  -0.00002  -0.00075  -0.00024  -0.00099  -0.02824
   D217      -3.11424   0.00000  -0.00095   0.00025  -0.00071  -3.11495
   D218       0.02132  -0.00001  -0.00140   0.00017  -0.00123   0.02009
   D219       0.00633   0.00002   0.00069   0.00010   0.00079   0.00712
   D220      -3.14128   0.00000   0.00024   0.00003   0.00027  -3.14102
   D221       3.11763   0.00001   0.00113  -0.00039   0.00074   3.11837
   D222      -0.01231  -0.00000   0.00138  -0.00048   0.00090  -0.01141
   D223       0.02903   0.00002   0.00035   0.00022   0.00057   0.02960
   D224      -3.10091   0.00001   0.00060   0.00012   0.00072  -3.10019
   D225       0.01176  -0.00001  -0.00021   0.00006  -0.00015   0.01162
   D226      -3.13996   0.00001   0.00017   0.00014   0.00031  -3.13965
   D227      -3.12274   0.00001   0.00026   0.00014   0.00040  -3.12233
   D228       0.00872   0.00002   0.00063   0.00023   0.00086   0.00959
   D229      -0.01181   0.00000  -0.00015  -0.00006  -0.00022  -0.01202
   D230       3.12522   0.00000   0.00013  -0.00024  -0.00011   3.12511
   D231       3.13989  -0.00001  -0.00053  -0.00015  -0.00067   3.13922
   D232      -0.00627  -0.00002  -0.00024  -0.00032  -0.00056  -0.00683
   D233      -0.00742  -0.00001  -0.00010  -0.00005  -0.00015  -0.00757
   D234       3.11856   0.00001  -0.00019   0.00021   0.00001   3.11858
   D235       3.13872  -0.00000  -0.00038   0.00012  -0.00026   3.13846
   D236      -0.01849   0.00001  -0.00047   0.00038  -0.00009  -0.01858
   D237      -0.00831  -0.00001  -0.00011  -0.00009  -0.00020  -0.00851
   D238       3.13532  -0.00000  -0.00031   0.00012  -0.00019   3.13513
   D239       3.12660  -0.00000  -0.00072   0.00017  -0.00056   3.12604
   D240      -0.01296   0.00000  -0.00092   0.00037  -0.00055  -0.01351
   D241      -0.00912  -0.00000  -0.00046   0.00001  -0.00045  -0.00956
   D242       3.13989  -0.00002  -0.00050  -0.00025  -0.00075   3.13914
   D243       3.13043  -0.00001  -0.00026  -0.00019  -0.00045   3.12997
   D244      -0.00375  -0.00002  -0.00029  -0.00046  -0.00076  -0.00451
   D245       0.01010  -0.00000   0.00004  -0.00001   0.00004   0.01013
   D246      -3.12622   0.00001   0.00050   0.00014   0.00064  -3.12558
   D247      -3.13893   0.00001   0.00008   0.00026   0.00034  -3.13859
   D248       0.00794   0.00003   0.00054   0.00041   0.00095   0.00888
   D249       0.00956  -0.00001  -0.00051   0.00014  -0.00037   0.00920
   D250      -3.13925   0.00001  -0.00003   0.00007   0.00004  -3.13921
   D251      -3.12665   0.00000  -0.00027   0.00029   0.00003  -3.12662
   D252       0.00772   0.00002   0.00021   0.00022   0.00043   0.00815
   D253      -0.00973   0.00000   0.00019  -0.00022  -0.00003  -0.00976
   D254       3.12891   0.00000   0.00044  -0.00029   0.00014   3.12905
   D255       3.13906  -0.00001  -0.00029  -0.00014  -0.00043   3.13863
   D256      -0.00549  -0.00001  -0.00005  -0.00021  -0.00026  -0.00575
   D257      -0.00619   0.00000   0.00028  -0.00006   0.00022  -0.00597
   D258       3.12450   0.00001   0.00030  -0.00002   0.00028   3.12478
   D259       3.13834   0.00000   0.00004   0.00001   0.00005   3.13839
   D260      -0.01415   0.00001   0.00005   0.00006   0.00011  -0.01404
   D261      -0.00739   0.00000   0.00030  -0.00009   0.00021  -0.00718
   D262       3.13868   0.00000  -0.00006   0.00009   0.00004   3.13872
   D263       3.12378   0.00002   0.00052  -0.00008   0.00043   3.12422
   D264      -0.01334   0.00002   0.00016   0.00010   0.00026  -0.01307
   D265      -0.00922   0.00001   0.00016  -0.00014   0.00003  -0.00919
   D266       3.14051  -0.00001  -0.00024  -0.00016  -0.00040   3.14011
   D267       3.12788   0.00000   0.00052  -0.00032   0.00020   3.12808
   D268      -0.00558  -0.00001   0.00012  -0.00034  -0.00023  -0.00581
   D269       0.00976  -0.00001  -0.00053   0.00010  -0.00042   0.00934
   D270      -3.12606  -0.00000  -0.00018   0.00013  -0.00006  -3.12612
   D271      -3.13999   0.00000  -0.00012   0.00012   0.00001  -3.13998
   D272       0.00737   0.00001   0.00023   0.00015   0.00037   0.00775
   D273       0.01150  -0.00001  -0.00026   0.00005  -0.00022   0.01128
   D274      -3.13987   0.00001  -0.00011   0.00024   0.00013  -3.13974
   D275      -3.12405   0.00001   0.00019   0.00012   0.00031  -3.12375
   D276       0.00776   0.00002   0.00034   0.00031   0.00065   0.00841
   D277      -0.00937  -0.00000  -0.00014  -0.00007  -0.00020  -0.00957
   D278       3.12637  -0.00000   0.00009  -0.00021  -0.00012   3.12625
   D279      -3.14122  -0.00001  -0.00029  -0.00025  -0.00054   3.14142
   D280      -0.00548  -0.00001  -0.00006  -0.00040  -0.00045  -0.00594
   D281      -0.01082  -0.00000   0.00010  -0.00007   0.00003  -0.01079
   D282       3.11926   0.00000  -0.00015   0.00003  -0.00012   3.11914
   D283       3.13659  -0.00000  -0.00013   0.00008  -0.00005   3.13654
   D284      -0.01650   0.00001  -0.00038   0.00017  -0.00021  -0.01672
   D285      -0.00405  -0.00000   0.00006  -0.00002   0.00004  -0.00401
   D286       3.13993  -0.00000  -0.00012   0.00002  -0.00010   3.13983
   D287       3.12678   0.00001   0.00011   0.00017   0.00027   3.12706
   D288      -0.01243   0.00001  -0.00007   0.00020   0.00014  -0.01229
   D289      -0.01048   0.00000   0.00004  -0.00011  -0.00006  -0.01054
   D290       3.13858  -0.00001  -0.00032  -0.00019  -0.00051   3.13807
   D291       3.12872   0.00000   0.00022  -0.00014   0.00007   3.12879
   D292      -0.00541  -0.00001  -0.00014  -0.00023  -0.00037  -0.00578
   D293       0.00911  -0.00001  -0.00033   0.00006  -0.00027   0.00883
   D294      -3.12613   0.00000  -0.00006   0.00012   0.00006  -3.12607
   D295      -3.13997   0.00001   0.00003   0.00014   0.00017  -3.13980
   D296       0.00797   0.00002   0.00030   0.00021   0.00051   0.00848
         Item               Value     Threshold  Converged?
 Maximum Force            0.000813     0.000450     NO 
 RMS     Force            0.000103     0.000300     YES
 Maximum Displacement     0.101180     0.001800     NO 
 RMS     Displacement     0.016322     0.001200     NO 
 Predicted change in Energy=-5.221418D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.037862    2.960479    0.101407
      2          6           0       -2.310032    1.595539    0.037048
      3          6           0       -1.278293    0.639585    0.013508
      4          6           0        0.059464    1.100104    0.034885
      5          6           0        0.324324    2.481768    0.087949
      6          6           0       -0.702126    3.404859    0.128884
      7          6           0       -1.551734   -0.805229   -0.060893
      8          6           0       -0.480493   -1.747651   -0.079551
      9          6           0        0.886308   -1.266573   -0.018187
     10          6           0        1.166248    0.149788    0.012284
     11          6           0       -2.866458   -1.291493   -0.104482
     12          6           0       -3.145176   -2.656319   -0.189658
     13          6           0       -2.081668   -3.575730   -0.226859
     14          6           0       -0.777366   -3.126636   -0.168024
     15          7           0        1.940916   -2.100754    0.004889
     16          6           0        3.227916   -1.648263    0.022541
     17          6           0        3.444943   -0.237807    0.027956
     18          7           0        2.403598    0.624091    0.030605
     19          6           0        4.328206   -2.540096    0.037396
     20          6           0        5.600893   -2.022310    0.047889
     21          6           0        5.838072   -0.614017    0.029380
     22          6           0        4.769247    0.262107    0.018195
     23          7           0       -3.098059    3.893879    0.141281
     24          7           0       -4.480142   -3.104237   -0.239906
     25          7           0        7.165010   -0.138870    0.047411
     26          6           0       -5.026666   -4.145163    0.534040
     27          6           0       -6.397666   -4.285077    0.207311
     28          6           0       -6.695915   -3.296249   -0.808843
     29          6           0       -5.497226   -2.584222   -1.060562
     30          6           0       -3.228821    5.021736   -0.685407
     31          6           0       -4.418084    5.709188   -0.337240
     32          6           0       -5.032117    4.970601    0.747345
     33          6           0       -4.196681    3.857991    1.016393
     34          6           0        7.677974    0.851333    0.904951
     35          6           0        9.053861    1.032447    0.620119
     36          6           0        9.388296    0.124285   -0.458411
     37          6           0        8.205558   -0.581835   -0.788256
     38          6           0       -7.854443   -2.976992   -1.524706
     39          6           0       -7.803706   -1.967553   -2.481554
     40          6           0       -6.602507   -1.286907   -2.736318
     41          6           0       -5.434731   -1.586042   -2.036619
     42          6           0       -4.429096   -4.928415    1.524982
     43          6           0       -5.221562   -5.879992    2.164354
     44          6           0       -6.577093   -6.045182    1.837301
     45          6           0       -7.171802   -5.247152    0.864692
     46          6           0       -6.190069    5.165634    1.508224
     47          6           0       -6.494193    4.263400    2.523112
     48          6           0       -5.645566    3.176518    2.789543
     49          6           0       -4.486813    2.959437    2.046430
     50          6           0       -2.416089    5.454540   -1.736587
     51          6           0       -2.798212    6.607810   -2.419307
     52          6           0       -3.963640    7.311557   -2.074256
     53          6           0       -4.779360    6.864403   -1.039157
     54          6           0       10.566086   -0.129515   -1.169213
     55          6           0       10.548472   -1.068898   -2.196057
     56          6           0        9.362313   -1.744330   -2.525211
     57          6           0        8.175194   -1.508064   -1.834106
     58          6           0        7.046835    1.555533    1.933151
     59          6           0        7.811349    2.466528    2.659921
     60          6           0        9.171414    2.671653    2.377632
     61          6           0        9.798721    1.954311    1.363381
     62          1           0       -3.347101    1.292804   -0.013996
     63          1           0        1.358097    2.804152    0.115072
     64          1           0       -0.489626    4.465260    0.202390
     65          1           0       -3.704095   -0.610452   -0.047873
     66          1           0       -2.281831   -4.635957   -0.326643
     67          1           0        0.020689   -3.864514   -0.199744
     68          1           0        1.856840   -3.214610    0.066604
     69          1           0        4.134966   -3.608655    0.062336
     70          1           0        6.452004   -2.692227    0.093059
     71          1           0        4.911779    1.335168   -0.013971
     72          1           0       -8.778889   -3.516128   -1.339613
     73          1           0       -8.696140   -1.708915   -3.042644
     74          1           0       -6.576770   -0.512536   -3.497005
     75          1           0       -4.510055   -1.066430   -2.259514
     76          1           0       -3.388207   -4.804303    1.799683
     77          1           0       -4.776172   -6.503766    2.933287
     78          1           0       -7.165284   -6.797513    2.353258
     79          1           0       -8.223829   -5.364134    0.621538
     80          1           0       -6.839059    6.013953    1.311254
     81          1           0       -7.390630    4.402139    3.119170
     82          1           0       -5.892594    2.489172    3.592980
     83          1           0       -3.832354    2.125361    2.272634
     84          1           0       -1.522664    4.911659   -2.023335
     85          1           0       -2.180552    6.964557   -3.238052
     86          1           0       -4.231969    8.207249   -2.625561
     87          1           0       -5.688106    7.400654   -0.781803
     88          1           0       11.479638    0.404866   -0.925595
     89          1           0       11.455901   -1.276465   -2.754256
     90          1           0        9.363627   -2.463480   -3.338597
     91          1           0        7.262956   -2.022490   -2.113961
     92          1           0        6.001320    1.397818    2.171025
     93          1           0        7.341015    3.026295    3.462682
     94          1           0        9.737544    3.391171    2.960672
     95          1           0       10.854110    2.102142    1.154111
     96         17           0        2.036214   -5.012185    0.210823
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462196           0.0189314           0.0145393
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7844.0671859766 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.51D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000656    0.000034    0.000074 Ang=  -0.08 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58788587     A.U. after   10 cycles
            NFock= 10  Conv=0.61D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000096769   -0.000017450   -0.000007829
      2        6           0.000054528    0.000039473   -0.000071694
      3        6           0.000166449    0.000250969    0.000024165
      4        6          -0.000307712   -0.000108936    0.000012317
      5        6          -0.000006937    0.000127672   -0.000016820
      6        6           0.000045113   -0.000090118    0.000004191
      7        6           0.000247555   -0.000285414   -0.000014812
      8        6          -0.000331673    0.000274567    0.000036242
      9        6          -0.000131407   -0.000017269   -0.000228335
     10        6           0.000124348   -0.000219847   -0.000051123
     11        6           0.000045592    0.000016244    0.000095934
     12        6          -0.000244333   -0.000156546   -0.000021771
     13        6           0.000026046    0.000125757   -0.000034837
     14        6          -0.000007155   -0.000126998    0.000119152
     15        7           0.000614033    0.000543174    0.000433154
     16        6          -0.000292941    0.000371623    0.000060356
     17        6           0.000134639   -0.000143009   -0.000019719
     18        7          -0.000097050   -0.000031254    0.000030421
     19        6          -0.000112734    0.000004787    0.000029987
     20        6          -0.000011423    0.000022009    0.000014573
     21        6           0.000276319    0.000094835   -0.000012168
     22        6          -0.000103863   -0.000072798    0.000008042
     23        7           0.000151795   -0.000033104   -0.000023853
     24        7           0.000389536    0.000207161    0.000087726
     25        7          -0.000319518   -0.000233183   -0.000019943
     26        6          -0.000165837   -0.000234031   -0.000032215
     27        6           0.000144126    0.000118459   -0.000076993
     28        6           0.000163259    0.000068270    0.000101198
     29        6          -0.000308675   -0.000044443   -0.000060729
     30        6          -0.000132668    0.000101756    0.000006243
     31        6           0.000091396   -0.000143672    0.000070124
     32        6           0.000171470   -0.000009906   -0.000077864
     33        6          -0.000168847    0.000062169    0.000010276
     34        6           0.000138380    0.000216678    0.000037907
     35        6          -0.000119846   -0.000131929   -0.000088870
     36        6          -0.000153016   -0.000047062    0.000069676
     37        6           0.000212158    0.000036176    0.000024846
     38        6          -0.000000271   -0.000013085    0.000013984
     39        6           0.000077460    0.000010031   -0.000006806
     40        6          -0.000010246    0.000028332    0.000013409
     41        6           0.000016424   -0.000094937    0.000000845
     42        6          -0.000066242    0.000073808   -0.000001815
     43        6           0.000011645   -0.000022844   -0.000014736
     44        6           0.000037865    0.000067765    0.000021263
     45        6          -0.000011775    0.000003998   -0.000011244
     46        6          -0.000008927   -0.000005939   -0.000017266
     47        6           0.000065858    0.000004842   -0.000004492
     48        6           0.000017871   -0.000029232   -0.000017601
     49        6          -0.000029998    0.000069260    0.000003290
     50        6          -0.000083634   -0.000032308    0.000023780
     51        6           0.000029562    0.000008692    0.000015757
     52        6           0.000038919   -0.000058304   -0.000003822
     53        6           0.000002082    0.000005295    0.000023665
     54        6          -0.000003572    0.000007974    0.000024687
     55        6          -0.000077661   -0.000012180   -0.000014500
     56        6           0.000013694   -0.000021543    0.000009223
     57        6           0.000000908    0.000090466    0.000017225
     58        6           0.000089337   -0.000035393   -0.000024597
     59        6          -0.000019618    0.000013700   -0.000009462
     60        6          -0.000036227   -0.000060249   -0.000003955
     61        6           0.000006842    0.000004321   -0.000019712
     62        1          -0.000040199    0.000016310   -0.000015208
     63        1          -0.000006021   -0.000006404   -0.000000655
     64        1          -0.000029298    0.000031538   -0.000013662
     65        1          -0.000022327   -0.000008169   -0.000000333
     66        1          -0.000025110   -0.000027004    0.000011349
     67        1          -0.000043080   -0.000012518    0.000032812
     68        1           0.000142599   -0.000583130   -0.000437501
     69        1           0.000026983    0.000006777    0.000006663
     70        1           0.000003078   -0.000001662   -0.000011319
     71        1           0.000012022    0.000013548    0.000018607
     72        1          -0.000010358    0.000010661   -0.000024941
     73        1          -0.000015164   -0.000000489    0.000011442
     74        1          -0.000013035   -0.000020238   -0.000010369
     75        1           0.000004001    0.000015986    0.000030937
     76        1           0.000025242    0.000007379   -0.000021315
     77        1          -0.000020829    0.000000605    0.000007222
     78        1          -0.000003258   -0.000016332   -0.000018346
     79        1           0.000001551   -0.000013414    0.000023948
     80        1          -0.000009351   -0.000008412    0.000025280
     81        1          -0.000014510    0.000001018   -0.000010397
     82        1          -0.000013305    0.000017445    0.000006525
     83        1           0.000008364   -0.000018215   -0.000023504
     84        1           0.000040207   -0.000009582    0.000028181
     85        1          -0.000020516   -0.000001080   -0.000005532
     86        1          -0.000008861    0.000010765    0.000010847
     87        1           0.000001396    0.000012490   -0.000022403
     88        1           0.000010205   -0.000006706   -0.000024240
     89        1           0.000014321   -0.000001125    0.000013322
     90        1           0.000009690    0.000019820   -0.000004978
     91        1          -0.000008678   -0.000010014    0.000010991
     92        1          -0.000023065    0.000004378   -0.000017165
     93        1           0.000019234    0.000000116    0.000004425
     94        1           0.000005997    0.000011566   -0.000008899
     95        1          -0.000003245    0.000007904    0.000022349
     96       17          -0.000139315    0.000018909   -0.000028205
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000614033 RMS     0.000114364

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000340952 RMS     0.000056132
 Search for a local minimum.
 Step number  19 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19
 DE= -2.90D-05 DEPred=-5.22D-06 R= 5.56D+00
 TightC=F SS=  1.41D+00  RLast= 3.80D-02 DXNew= 5.0454D+00 1.1412D-01
 Trust test= 5.56D+00 RLast= 3.80D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00273   0.00851   0.01388   0.02265   0.02577
     Eigenvalues ---    0.02713   0.02725   0.02734   0.02744   0.02745
     Eigenvalues ---    0.02752   0.02759   0.02767   0.02774   0.02782
     Eigenvalues ---    0.02788   0.02792   0.02793   0.02793   0.02794
     Eigenvalues ---    0.02796   0.02804   0.02814   0.02815   0.02817
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02820   0.02826
     Eigenvalues ---    0.02831   0.02834   0.02838   0.02842   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02850
     Eigenvalues ---    0.02855   0.02857   0.02863   0.02866   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02869   0.02871   0.02872
     Eigenvalues ---    0.02872   0.02876   0.02876   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02882   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02889   0.02895   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02901   0.02903   0.02909
     Eigenvalues ---    0.02910   0.02927   0.02938   0.02940   0.02946
     Eigenvalues ---    0.02949   0.02989   0.03024   0.03027   0.03078
     Eigenvalues ---    0.03126   0.03128   0.03134   0.03141   0.03152
     Eigenvalues ---    0.03260   0.03336   0.03536   0.05731   0.11424
     Eigenvalues ---    0.14883   0.15823   0.15947   0.15994   0.15996
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16004   0.16004   0.16033
     Eigenvalues ---    0.16051   0.16073   0.16158   0.18152   0.20356
     Eigenvalues ---    0.21943   0.21999   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22001   0.22370   0.22430   0.22489   0.22598
     Eigenvalues ---    0.22600   0.22601   0.22605   0.22640   0.22659
     Eigenvalues ---    0.23058   0.23509   0.23518   0.23934   0.24266
     Eigenvalues ---    0.24475   0.24479   0.24491   0.24511   0.24521
     Eigenvalues ---    0.24634   0.24688   0.24856   0.24932   0.24967
     Eigenvalues ---    0.24971   0.24974   0.24975   0.24977   0.24994
     Eigenvalues ---    0.24998   0.24999   0.25005   0.25019   0.25086
     Eigenvalues ---    0.25105   0.25345   0.25721   0.30398   0.32627
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33284   0.33306   0.33333   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33679
     Eigenvalues ---    0.33846   0.33863   0.33879   0.33889   0.33896
     Eigenvalues ---    0.33908   0.33935   0.33956   0.33998   0.34334
     Eigenvalues ---    0.34770   0.34921   0.35962   0.44456   0.44471
     Eigenvalues ---    0.44826   0.45360   0.47686   0.48315   0.48543
     Eigenvalues ---    0.48951   0.48958   0.49617   0.49719   0.50205
     Eigenvalues ---    0.50289   0.50366   0.50399   0.50595   0.50613
     Eigenvalues ---    0.50678   0.51391   0.52712   0.52968   0.53397
     Eigenvalues ---    0.53763   0.54073   0.54104   0.54194   0.54200
     Eigenvalues ---    0.54211   0.54813   0.54997   0.55073   0.55371
     Eigenvalues ---    0.55511   0.55667   0.55735   0.55902   0.55929
     Eigenvalues ---    0.55960   0.56115   0.56127   0.56147   0.56209
     Eigenvalues ---    0.56356   0.56577   0.56662   0.56664   0.56665
     Eigenvalues ---    0.56678   0.56691   0.56701   0.56765   0.56901
     Eigenvalues ---    0.56914   0.56945   0.57141   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57176   0.57180   0.59386   0.61339
     Eigenvalues ---    0.62565   0.65910   0.66066   0.66664   0.67581
     Eigenvalues ---    0.67712   0.67976   0.69705   0.69921   0.70309
     Eigenvalues ---    0.73849   0.76154
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    19   18   17   16   15   14   13   12   11   10
 RFO step:  Lambda=-6.02199277D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    3.00000   -1.17978   -1.25636    0.36868    0.20952
                  RFO-DIIS coefs:    0.08090   -0.17332   -0.10391    0.05389    0.00037
 Iteration  1 RMS(Cart)=  0.03705708 RMS(Int)=  0.00038461
 Iteration  2 RMS(Cart)=  0.00063965 RMS(Int)=  0.00003969
 Iteration  3 RMS(Cart)=  0.00000022 RMS(Int)=  0.00003969
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63295  -0.00008  -0.00031   0.00002  -0.00029   2.63266
    R2        2.66070  -0.00004  -0.00085   0.00039  -0.00045   2.66025
    R3        2.67037  -0.00014   0.00100  -0.00052   0.00049   2.67085
    R4        2.65833  -0.00002  -0.00037   0.00030  -0.00007   2.65826
    R5        2.04385   0.00003   0.00010  -0.00007   0.00003   2.04388
    R6        2.67390  -0.00027  -0.00107  -0.00001  -0.00109   2.67280
    R7        2.78232   0.00008   0.00042  -0.00008   0.00033   2.78266
    R8        2.66040   0.00007   0.00024   0.00001   0.00024   2.66064
    R9        2.75705   0.00008   0.00006   0.00017   0.00023   2.75728
   R10        2.60986  -0.00007  -0.00013   0.00000  -0.00013   2.60973
   R11        2.04698  -0.00001  -0.00017   0.00007  -0.00010   2.04688
   R12        2.04842   0.00003   0.00010   0.00000   0.00010   2.04853
   R13        2.69646  -0.00021  -0.00169   0.00076  -0.00093   2.69553
   R14        2.65024  -0.00003  -0.00031   0.00025  -0.00006   2.65018
   R15        2.74066   0.00011   0.00080   0.00045   0.00126   2.74192
   R16        2.67085   0.00009   0.00046  -0.00008   0.00038   2.67122
   R17        2.72892  -0.00011  -0.00222   0.00140  -0.00083   2.72809
   R18        2.54137   0.00024  -0.00038   0.00094   0.00063   2.54201
   R19        2.50439  -0.00008   0.00003  -0.00006  -0.00011   2.50428
   R20        2.63730  -0.00006  -0.00037   0.00010  -0.00027   2.63703
   R21        2.04288   0.00002   0.00009  -0.00018  -0.00009   2.04279
   R22        2.65757  -0.00007  -0.00029   0.00010  -0.00018   2.65739
   R23        2.66263  -0.00029  -0.00010  -0.00038  -0.00048   2.66215
   R24        2.60916  -0.00005  -0.00001  -0.00008  -0.00009   2.60907
   R25        2.04763   0.00002   0.00010  -0.00006   0.00004   2.04768
   R26        2.05482  -0.00003   0.00058  -0.00003   0.00055   2.05537
   R27        2.57823  -0.00019   0.00078  -0.00049   0.00037   2.57860
   R28        2.11409   0.00034  -0.00658   0.00188  -0.00472   2.10937
   R29        5.51849   0.00019   0.00696   0.00159   0.00856   5.52705
   R30        2.69676  -0.00023  -0.00056  -0.00003  -0.00057   2.69620
   R31        2.67663  -0.00006  -0.00190   0.00082  -0.00108   2.67556
   R32        2.55447  -0.00002   0.00008  -0.00030  -0.00030   2.55417
   R33        2.67501  -0.00008  -0.00046   0.00013  -0.00034   2.67467
   R34        2.59653  -0.00003   0.00033  -0.00007   0.00026   2.59679
   R35        2.05258  -0.00001   0.00029  -0.00020   0.00010   2.05268
   R36        2.69899  -0.00007  -0.00083   0.00026  -0.00059   2.69840
   R37        2.04861   0.00000   0.00002  -0.00006  -0.00004   2.04857
   R38        2.61172   0.00002  -0.00015   0.00022   0.00006   2.61178
   R39        2.66368  -0.00028   0.00046  -0.00057  -0.00010   2.66357
   R40        2.04650   0.00001  -0.00000  -0.00001  -0.00001   2.04649
   R41        2.65409  -0.00007   0.00007  -0.00010  -0.00003   2.65406
   R42        2.65510  -0.00000   0.00008  -0.00007   0.00001   2.65511
   R43        2.65989   0.00002   0.00041  -0.00005   0.00035   2.66024
   R44        2.65797   0.00009   0.00114  -0.00018   0.00097   2.65894
   R45        2.65842   0.00006   0.00017   0.00001   0.00018   2.65860
   R46        2.65727   0.00002   0.00018   0.00006   0.00023   2.65750
   R47        2.67646  -0.00017  -0.00109   0.00041  -0.00068   2.67578
   R48        2.64058  -0.00007  -0.00052   0.00023  -0.00029   2.64029
   R49        2.73802  -0.00008  -0.00046   0.00012  -0.00034   2.73768
   R50        2.64361   0.00000  -0.00033   0.00018  -0.00015   2.64345
   R51        2.67728  -0.00016  -0.00126   0.00044  -0.00081   2.67647
   R52        2.64330   0.00000  -0.00028   0.00018  -0.00010   2.64320
   R53        2.64086  -0.00007  -0.00057   0.00026  -0.00031   2.64054
   R54        2.67792  -0.00015  -0.00098   0.00040  -0.00058   2.67734
   R55        2.64077  -0.00008  -0.00055   0.00021  -0.00034   2.64043
   R56        2.73774  -0.00011  -0.00047   0.00010  -0.00036   2.73737
   R57        2.64408  -0.00000  -0.00021   0.00013  -0.00008   2.64400
   R58        2.67798  -0.00014  -0.00088   0.00038  -0.00049   2.67749
   R59        2.64415   0.00000  -0.00022   0.00013  -0.00009   2.64406
   R60        2.64058  -0.00005  -0.00036   0.00014  -0.00022   2.64037
   R61        2.67715  -0.00016  -0.00092   0.00035  -0.00057   2.67658
   R62        2.63982  -0.00007  -0.00045   0.00018  -0.00027   2.63956
   R63        2.73836  -0.00011  -0.00057   0.00014  -0.00043   2.73794
   R64        2.64365  -0.00000  -0.00026   0.00014  -0.00012   2.64353
   R65        2.67666  -0.00015  -0.00099   0.00040  -0.00059   2.67607
   R66        2.64348  -0.00001  -0.00028   0.00017  -0.00011   2.64338
   R67        2.64063  -0.00006  -0.00053   0.00026  -0.00027   2.64037
   R68        2.63012  -0.00001   0.00007  -0.00001   0.00006   2.63017
   R69        2.05236  -0.00000  -0.00004   0.00001  -0.00003   2.05233
   R70        2.65307  -0.00005  -0.00059   0.00026  -0.00033   2.65274
   R71        2.05116   0.00001   0.00009  -0.00004   0.00005   2.05121
   R72        2.63396  -0.00003   0.00010  -0.00004   0.00006   2.63402
   R73        2.05186  -0.00001  -0.00008   0.00003  -0.00004   2.05182
   R74        2.04816   0.00001   0.00010  -0.00012  -0.00002   2.04814
   R75        2.63364  -0.00002   0.00018  -0.00008   0.00010   2.63375
   R76        2.04782   0.00002   0.00010  -0.00012  -0.00002   2.04780
   R77        2.65351  -0.00004  -0.00065   0.00027  -0.00038   2.65313
   R78        2.05166  -0.00001  -0.00006   0.00004  -0.00002   2.05164
   R79        2.62971  -0.00001   0.00010  -0.00001   0.00009   2.62980
   R80        2.05119   0.00001   0.00009  -0.00004   0.00005   2.05123
   R81        2.05239  -0.00000  -0.00004   0.00001  -0.00003   2.05236
   R82        2.62972  -0.00002   0.00001   0.00002   0.00003   2.62975
   R83        2.05245  -0.00000  -0.00002   0.00001  -0.00001   2.05243
   R84        2.65402  -0.00004  -0.00063   0.00035  -0.00028   2.65374
   R85        2.05114   0.00001   0.00010  -0.00005   0.00006   2.05120
   R86        2.63347  -0.00004   0.00005  -0.00007  -0.00003   2.63345
   R87        2.05188  -0.00001  -0.00008   0.00004  -0.00004   2.05184
   R88        2.04856   0.00001  -0.00000   0.00006   0.00005   2.04861
   R89        2.63355  -0.00004   0.00005  -0.00007  -0.00002   2.63353
   R90        2.04855   0.00003   0.00014  -0.00002   0.00012   2.04867
   R91        2.65407  -0.00003  -0.00058   0.00033  -0.00026   2.65381
   R92        2.05200  -0.00001  -0.00010   0.00005  -0.00005   2.05195
   R93        2.62990  -0.00001   0.00001   0.00004   0.00005   2.62995
   R94        2.05120   0.00001   0.00011  -0.00004   0.00006   2.05126
   R95        2.05243  -0.00000  -0.00002  -0.00000  -0.00002   2.05241
   R96        2.63016  -0.00001   0.00002   0.00002   0.00004   2.63019
   R97        2.05233  -0.00000  -0.00003   0.00000  -0.00003   2.05230
   R98        2.65338  -0.00006  -0.00056   0.00024  -0.00032   2.65307
   R99        2.05111   0.00001   0.00009  -0.00004   0.00005   2.05116
   R100       2.63391  -0.00003   0.00005  -0.00001   0.00004   2.63395
   R101       2.05170  -0.00001  -0.00009   0.00004  -0.00005   2.05166
   R102       2.04853   0.00001   0.00020  -0.00016   0.00004   2.04856
   R103       2.63384  -0.00003  -0.00003   0.00001  -0.00001   2.63383
   R104       2.04803   0.00002   0.00014  -0.00008   0.00006   2.04809
   R105       2.65339  -0.00005  -0.00054   0.00026  -0.00028   2.65311
   R106       2.05188  -0.00001  -0.00008   0.00004  -0.00004   2.05184
   R107       2.62991  -0.00002  -0.00000   0.00003   0.00003   2.62994
   R108       2.05115   0.00001   0.00009  -0.00004   0.00005   2.05120
   R109       2.05233  -0.00000  -0.00003   0.00001  -0.00003   2.05230
   R110       3.42466  -0.00025   0.01404  -0.00043   0.01360   3.43826
    A1        2.08910   0.00001   0.00055  -0.00022   0.00033   2.08943
    A2        2.09652   0.00003  -0.00019   0.00014  -0.00005   2.09647
    A3        2.09756  -0.00004  -0.00036   0.00008  -0.00028   2.09729
    A4        2.12143  -0.00001  -0.00034   0.00008  -0.00028   2.12115
    A5        2.05296  -0.00003  -0.00058   0.00012  -0.00044   2.05252
    A6        2.10861   0.00004   0.00092  -0.00021   0.00071   2.10932
    A7        2.06234   0.00002  -0.00005   0.00007   0.00003   2.06237
    A8        2.13115  -0.00001  -0.00012   0.00026   0.00018   2.13133
    A9        2.08947  -0.00001   0.00027  -0.00035  -0.00013   2.08934
   A10        2.09192   0.00004   0.00048  -0.00014   0.00034   2.09226
   A11        2.10016  -0.00002  -0.00038   0.00020  -0.00022   2.09994
   A12        2.09108  -0.00002  -0.00009  -0.00005  -0.00010   2.09098
   A13        2.11444  -0.00005  -0.00052   0.00016  -0.00037   2.11407
   A14        2.06301   0.00002  -0.00022   0.00020  -0.00001   2.06300
   A15        2.10556   0.00003   0.00077  -0.00037   0.00041   2.10596
   A16        2.08697  -0.00001  -0.00013   0.00004  -0.00009   2.08688
   A17        2.08984  -0.00003  -0.00075   0.00038  -0.00037   2.08947
   A18        2.10616   0.00003   0.00089  -0.00040   0.00049   2.10665
   A19        2.10523   0.00004   0.00031   0.00036   0.00064   2.10586
   A20        2.11287  -0.00011  -0.00100  -0.00043  -0.00140   2.11148
   A21        2.06505   0.00006   0.00065   0.00006   0.00072   2.06578
   A22        2.08046   0.00002  -0.00038   0.00043   0.00003   2.08050
   A23        2.08006  -0.00004   0.00046  -0.00096  -0.00050   2.07955
   A24        2.12263   0.00002  -0.00007   0.00054   0.00049   2.12312
   A25        2.10474  -0.00011   0.00060  -0.00122  -0.00074   2.10400
   A26        2.13414   0.00021   0.00011   0.00160   0.00164   2.13578
   A27        2.04429  -0.00010  -0.00067  -0.00038  -0.00088   2.04341
   A28        2.08533   0.00008   0.00055   0.00065   0.00116   2.08649
   A29        2.06571  -0.00013  -0.00060  -0.00118  -0.00175   2.06395
   A30        2.13212   0.00005   0.00006   0.00054   0.00061   2.13273
   A31        2.12727   0.00000  -0.00061   0.00058  -0.00004   2.12724
   A32        2.10170   0.00002   0.00036  -0.00035   0.00001   2.10172
   A33        2.05392  -0.00002   0.00021  -0.00024  -0.00003   2.05389
   A34        2.08282  -0.00004   0.00013  -0.00067  -0.00053   2.08228
   A35        2.09703   0.00005  -0.00001   0.00031   0.00029   2.09733
   A36        2.10333  -0.00001  -0.00012   0.00036   0.00024   2.10358
   A37        2.09510   0.00003   0.00047   0.00007   0.00055   2.09565
   A38        2.09720  -0.00004  -0.00077   0.00045  -0.00032   2.09688
   A39        2.09058   0.00001   0.00031  -0.00052  -0.00021   2.09036
   A40        2.11583  -0.00002  -0.00106   0.00090  -0.00016   2.11567
   A41        2.10570   0.00004   0.00172  -0.00058   0.00114   2.10684
   A42        2.06162  -0.00002  -0.00071  -0.00032  -0.00102   2.06061
   A43        2.13440  -0.00005   0.00201  -0.00101   0.00062   2.13502
   A44        2.16469   0.00002  -0.00027   0.00192   0.00138   2.16607
   A45        2.27209  -0.00029   0.00235   0.00140   0.00326   2.27536
   A46        1.98274   0.00003   0.00008  -0.00081  -0.00099   1.98174
   A47        1.87439   0.00033  -0.00155  -0.00028  -0.00232   1.87208
   A48        2.06156   0.00012  -0.00179   0.00150  -0.00013   2.06143
   A49        2.12244  -0.00014   0.00160  -0.00131   0.00017   2.12262
   A50        2.09918   0.00002   0.00019  -0.00018  -0.00004   2.09914
   A51        2.10952  -0.00004   0.00011  -0.00037  -0.00025   2.10927
   A52        2.08438   0.00002   0.00043  -0.00006   0.00038   2.08476
   A53        2.08925   0.00002  -0.00057   0.00043  -0.00017   2.08908
   A54        2.08407   0.00001   0.00070  -0.00027   0.00033   2.08440
   A55        2.07411   0.00001  -0.00020   0.00014  -0.00003   2.07408
   A56        2.07312   0.00002   0.00102  -0.00045   0.00056   2.07369
   A57        2.13570  -0.00004  -0.00082   0.00032  -0.00052   2.13519
   A58        2.12385  -0.00003   0.00021  -0.00001   0.00019   2.12405
   A59        2.08822   0.00001  -0.00051   0.00000  -0.00051   2.08772
   A60        2.07087   0.00002   0.00031   0.00001   0.00032   2.07119
   A61        2.09064  -0.00003  -0.00005  -0.00019  -0.00025   2.09040
   A62        2.08122   0.00003   0.00013   0.00012   0.00026   2.08147
   A63        2.11115   0.00000  -0.00009   0.00007  -0.00001   2.11114
   A64        2.09390   0.00001  -0.00050   0.00030  -0.00020   2.09370
   A65        2.06379   0.00001  -0.00022   0.00010  -0.00012   2.06367
   A66        2.12537  -0.00002   0.00071  -0.00040   0.00030   2.12568
   A67        2.19405  -0.00003   0.00005  -0.00012  -0.00007   2.19398
   A68        2.19858   0.00005   0.00030  -0.00006   0.00024   2.19883
   A69        1.89054  -0.00003  -0.00036   0.00018  -0.00018   1.89037
   A70        2.19366  -0.00001   0.00054  -0.00011   0.00043   2.19409
   A71        2.19986   0.00007   0.00004   0.00005   0.00009   2.19996
   A72        1.88963  -0.00006  -0.00059   0.00006  -0.00053   1.88910
   A73        2.19979   0.00003   0.00026  -0.00018   0.00008   2.19988
   A74        2.19300   0.00003  -0.00002   0.00017   0.00015   2.19315
   A75        1.89038  -0.00005  -0.00024   0.00001  -0.00023   1.89015
   A76        1.89871   0.00001   0.00012   0.00003   0.00015   1.89886
   A77        2.26324  -0.00008  -0.00053   0.00022  -0.00030   2.26294
   A78        2.12021   0.00007   0.00031  -0.00024   0.00007   2.12028
   A79        1.86882   0.00003   0.00021  -0.00006   0.00015   1.86897
   A80        2.08886  -0.00003  -0.00006   0.00008   0.00002   2.08888
   A81        2.32540  -0.00000  -0.00013  -0.00003  -0.00016   2.32525
   A82        1.86862   0.00004   0.00036  -0.00011   0.00025   1.86886
   A83        2.32565  -0.00000  -0.00020   0.00001  -0.00019   2.32546
   A84        2.08877  -0.00003  -0.00013   0.00010  -0.00004   2.08874
   A85        1.89899  -0.00002  -0.00010   0.00008  -0.00002   1.89898
   A86        2.26432  -0.00005  -0.00049   0.00019  -0.00030   2.26402
   A87        2.11871   0.00006   0.00050  -0.00026   0.00025   2.11895
   A88        1.89978   0.00000   0.00007  -0.00004   0.00004   1.89982
   A89        2.26182  -0.00007  -0.00066   0.00019  -0.00047   2.26134
   A90        2.12075   0.00007   0.00062  -0.00015   0.00047   2.12122
   A91        1.86744   0.00002   0.00014  -0.00006   0.00008   1.86752
   A92        2.08744  -0.00003  -0.00041   0.00013  -0.00028   2.08716
   A93        2.32820   0.00001   0.00031  -0.00008   0.00023   2.32843
   A94        1.86767   0.00002   0.00009  -0.00002   0.00007   1.86774
   A95        2.32786   0.00000   0.00028  -0.00013   0.00015   2.32801
   A96        2.08756  -0.00002  -0.00033   0.00014  -0.00020   2.08736
   A97        1.89934  -0.00002   0.00006  -0.00007  -0.00001   1.89933
   A98        2.26257  -0.00003  -0.00041   0.00017  -0.00024   2.26233
   A99        2.12047   0.00004   0.00040  -0.00011   0.00029   2.12076
   A100       1.89818  -0.00001  -0.00011   0.00007  -0.00004   1.89814
   A101       2.26368  -0.00003  -0.00020   0.00007  -0.00013   2.26355
   A102       2.12038   0.00005   0.00030  -0.00014   0.00017   2.12055
   A103       1.86886   0.00004   0.00022  -0.00006   0.00017   1.86902
   A104       2.08809  -0.00002  -0.00014   0.00009  -0.00006   2.08803
   A105       2.32614  -0.00002  -0.00005  -0.00004  -0.00009   2.32605
   A106       1.86820   0.00003   0.00018  -0.00006   0.00012   1.86832
   A107       2.32707  -0.00001   0.00004  -0.00008  -0.00004   2.32702
   A108       2.08779  -0.00002  -0.00018   0.00013  -0.00006   2.08773
   A109       1.89913  -0.00000  -0.00005   0.00003  -0.00002   1.89911
   A110       2.26207  -0.00004  -0.00040   0.00023  -0.00017   2.26190
   A111       2.12102   0.00004   0.00044  -0.00026   0.00017   2.12119
   A112       2.07966  -0.00001  -0.00025   0.00009  -0.00015   2.07951
   A113       2.09957   0.00003   0.00063  -0.00017   0.00046   2.10003
   A114       2.10393  -0.00002  -0.00039   0.00008  -0.00031   2.10362
   A115       2.10315   0.00002   0.00037  -0.00019   0.00019   2.10334
   A116       2.09235  -0.00002  -0.00051   0.00020  -0.00031   2.09204
   A117       2.08764   0.00000   0.00015  -0.00001   0.00013   2.08777
   A118       2.11962  -0.00004  -0.00049   0.00021  -0.00029   2.11934
   A119       2.08652  -0.00000   0.00001  -0.00002  -0.00001   2.08651
   A120       2.07703   0.00004   0.00048  -0.00019   0.00030   2.07733
   A121       2.05606   0.00000  -0.00006   0.00006  -0.00000   2.05606
   A122       2.12260  -0.00002  -0.00018   0.00013  -0.00005   2.12255
   A123       2.10442   0.00002   0.00025  -0.00019   0.00005   2.10448
   A124       2.05432  -0.00001   0.00002   0.00008   0.00010   2.05442
   A125       2.12509  -0.00002  -0.00015  -0.00000  -0.00016   2.12494
   A126       2.10375   0.00002   0.00013  -0.00008   0.00005   2.10380
   A127       2.12045  -0.00004  -0.00045   0.00018  -0.00027   2.12018
   A128       2.07595   0.00004   0.00037  -0.00011   0.00026   2.07621
   A129       2.08678   0.00000   0.00008  -0.00006   0.00001   2.08680
   A130       2.10352   0.00002   0.00028  -0.00017   0.00011   2.10363
   A131       2.08741   0.00000   0.00023  -0.00004   0.00019   2.08761
   A132       2.09223  -0.00002  -0.00051   0.00021  -0.00030   2.09193
   A133       2.07868  -0.00001  -0.00018   0.00009  -0.00009   2.07859
   A134       2.10005   0.00003   0.00063  -0.00020   0.00043   2.10048
   A135       2.10444  -0.00002  -0.00046   0.00011  -0.00035   2.10409
   A136       2.07953  -0.00001  -0.00006  -0.00001  -0.00007   2.07946
   A137       2.09989   0.00003   0.00082  -0.00030   0.00052   2.10041
   A138       2.10374  -0.00002  -0.00076   0.00031  -0.00045   2.10329
   A139       2.10371   0.00002   0.00048  -0.00021   0.00027   2.10398
   A140       2.09222  -0.00002  -0.00066   0.00024  -0.00042   2.09180
   A141       2.08723   0.00000   0.00019  -0.00003   0.00016   2.08739
   A142       2.11978  -0.00004  -0.00066   0.00032  -0.00034   2.11944
   A143       2.08609  -0.00000  -0.00017   0.00010  -0.00007   2.08603
   A144       2.07731   0.00004   0.00083  -0.00042   0.00041   2.07772
   A145       2.05505   0.00001   0.00017  -0.00012   0.00005   2.05510
   A146       2.12143  -0.00002  -0.00054   0.00026  -0.00029   2.12115
   A147       2.10664   0.00001   0.00037  -0.00013   0.00024   2.10689
   A148       2.05481  -0.00000   0.00005  -0.00009  -0.00004   2.05477
   A149       2.12139  -0.00003  -0.00059   0.00026  -0.00034   2.12105
   A150       2.10694   0.00003   0.00055  -0.00017   0.00038   2.10732
   A151       2.11979  -0.00004  -0.00067   0.00031  -0.00036   2.11943
   A152       2.07749   0.00004   0.00075  -0.00038   0.00038   2.07787
   A153       2.08590   0.00000  -0.00008   0.00006  -0.00002   2.08588
   A154       2.10379   0.00002   0.00053  -0.00022   0.00031   2.10409
   A155       2.08728   0.00000   0.00016  -0.00003   0.00013   2.08741
   A156       2.09209  -0.00002  -0.00068   0.00025  -0.00043   2.09166
   A157       2.07951  -0.00001  -0.00013   0.00003  -0.00010   2.07941
   A158       2.09997   0.00003   0.00078  -0.00028   0.00050   2.10047
   A159       2.10369  -0.00002  -0.00066   0.00026  -0.00040   2.10328
   A160       2.07908  -0.00001  -0.00020   0.00009  -0.00011   2.07897
   A161       2.10015   0.00003   0.00062  -0.00018   0.00043   2.10059
   A162       2.10393  -0.00002  -0.00042   0.00009  -0.00033   2.10360
   A163       2.10402   0.00001   0.00041  -0.00022   0.00019   2.10420
   A164       2.09198  -0.00002  -0.00058   0.00024  -0.00033   2.09165
   A165       2.08715   0.00001   0.00017  -0.00002   0.00015   2.08730
   A166       2.11967  -0.00004  -0.00052   0.00024  -0.00027   2.11940
   A167       2.08659   0.00000   0.00007  -0.00005   0.00002   2.08661
   A168       2.07691   0.00004   0.00044  -0.00019   0.00025   2.07716
   A169       2.05439   0.00001   0.00001   0.00004   0.00004   2.05443
   A170       2.12475  -0.00002  -0.00018   0.00016  -0.00002   2.12473
   A171       2.10399   0.00000   0.00017  -0.00020  -0.00003   2.10396
   A172       2.05496   0.00001   0.00012  -0.00005   0.00007   2.05503
   A173       2.12239  -0.00001  -0.00031   0.00018  -0.00013   2.12226
   A174       2.10578   0.00000   0.00020  -0.00013   0.00007   2.10585
   A175       2.11995  -0.00004  -0.00051   0.00024  -0.00028   2.11968
   A176       2.07701   0.00003   0.00053  -0.00024   0.00028   2.07730
   A177       2.08621   0.00000  -0.00001   0.00001  -0.00001   2.08621
   A178       2.10346   0.00001   0.00037  -0.00019   0.00018   2.10364
   A179       2.08755   0.00000   0.00015  -0.00002   0.00013   2.08768
   A180       2.09215  -0.00002  -0.00051   0.00021  -0.00030   2.09185
   A181       2.07930  -0.00001  -0.00016   0.00006  -0.00010   2.07919
   A182       2.09987   0.00003   0.00064  -0.00022   0.00041   2.10028
   A183       2.10400  -0.00002  -0.00048   0.00017  -0.00031   2.10369
    D1        0.01262   0.00000  -0.00099   0.00057  -0.00042   0.01220
    D2       -3.10858  -0.00000  -0.00079   0.00099   0.00020  -3.10838
    D3       -3.12703  -0.00000  -0.00020  -0.00006  -0.00025  -3.12728
    D4        0.03496  -0.00001   0.00000   0.00036   0.00037   0.03533
    D5        0.00311   0.00001   0.00283  -0.00031   0.00252   0.00563
    D6       -3.11665  -0.00001   0.00220  -0.00103   0.00118  -3.11547
    D7       -3.14043   0.00001   0.00204   0.00031   0.00235  -3.13808
    D8        0.02299  -0.00001   0.00141  -0.00040   0.00101   0.02401
    D9       -2.26328  -0.00002   0.00017   0.00007   0.00024  -2.26304
   D10        0.88422  -0.00002   0.00042  -0.00002   0.00040   0.88462
   D11        0.88027  -0.00003   0.00096  -0.00056   0.00041   0.88068
   D12       -2.25542  -0.00003   0.00121  -0.00065   0.00057  -2.25485
   D13       -0.01785  -0.00002  -0.00255  -0.00050  -0.00306  -0.02090
   D14       -3.13636  -0.00003  -0.00735   0.00034  -0.00701   3.13981
   D15        3.10271  -0.00001  -0.00278  -0.00093  -0.00371   3.09900
   D16       -0.01580  -0.00003  -0.00757  -0.00009  -0.00767  -0.02347
   D17        0.00772   0.00002   0.00428   0.00018   0.00446   0.01218
   D18        3.14131   0.00003   0.00650   0.00104   0.00755  -3.13432
   D19        3.12680   0.00004   0.00895  -0.00063   0.00832   3.13513
   D20       -0.02279   0.00005   0.01118   0.00023   0.01142  -0.01138
   D21       -3.13883  -0.00007  -0.00515  -0.00313  -0.00827   3.13609
   D22       -0.00611  -0.00009  -0.00848  -0.00389  -0.01237  -0.01848
   D23        0.02620  -0.00008  -0.01001  -0.00228  -0.01229   0.01390
   D24       -3.12427  -0.00010  -0.01334  -0.00304  -0.01639  -3.14066
   D25        0.00764  -0.00001  -0.00253   0.00007  -0.00247   0.00517
   D26        3.12917  -0.00000  -0.00126   0.00021  -0.00104   3.12812
   D27       -3.12599  -0.00002  -0.00475  -0.00080  -0.00554  -3.13153
   D28       -0.00446  -0.00001  -0.00347  -0.00065  -0.00412  -0.00858
   D29       -0.01109   0.00005   0.00317   0.00197   0.00514  -0.00595
   D30        3.13909   0.00004   0.00083   0.00081   0.00165   3.14074
   D31        3.12250   0.00006   0.00540   0.00283   0.00824   3.13074
   D32       -0.01050   0.00005   0.00305   0.00167   0.00474  -0.00576
   D33       -0.01315  -0.00001  -0.00107  -0.00000  -0.00107  -0.01422
   D34        3.10641   0.00001  -0.00047   0.00073   0.00027   3.10668
   D35       -3.13418  -0.00001  -0.00237  -0.00016  -0.00253  -3.13671
   D36       -0.01463   0.00000  -0.00176   0.00057  -0.00119  -0.01582
   D37        0.00481   0.00003  -0.00566   0.00206  -0.00362   0.00118
   D38       -3.12816  -0.00003  -0.00739   0.00001  -0.00740  -3.13555
   D39       -3.12815   0.00005  -0.00242   0.00280   0.00037  -3.12777
   D40        0.02208  -0.00001  -0.00415   0.00075  -0.00340   0.01868
   D41        3.12930   0.00002   0.00579  -0.00059   0.00520   3.13450
   D42       -0.03879   0.00001   0.00411  -0.00136   0.00275  -0.03604
   D43       -0.02097  -0.00000   0.00254  -0.00134   0.00120  -0.01977
   D44        3.09412  -0.00001   0.00085  -0.00210  -0.00125   3.09287
   D45       -0.03918   0.00007   0.02022   0.00022   0.02044  -0.01874
   D46        3.10936   0.00004   0.01515  -0.00026   0.01489   3.12424
   D47        3.09357   0.00013   0.02200   0.00231   0.02430   3.11787
   D48       -0.04109   0.00009   0.01692   0.00184   0.01875  -0.02233
   D49       -0.00811   0.00002   0.00361   0.00013   0.00373  -0.00438
   D50        3.12476   0.00004   0.00023  -0.00047  -0.00024   3.12453
   D51       -3.14086  -0.00003   0.00184  -0.00197  -0.00013  -3.14099
   D52       -0.00798  -0.00002  -0.00154  -0.00257  -0.00410  -0.01209
   D53        0.04256  -0.00011  -0.01910  -0.00222  -0.02132   0.02124
   D54       -3.10796  -0.00010  -0.01667  -0.00102  -0.01769  -3.12565
   D55       -3.10562  -0.00007  -0.01428  -0.00176  -0.01604  -3.12166
   D56        0.02704  -0.00006  -0.01186  -0.00056  -0.01242   0.01462
   D57        3.10683   0.00013   0.01584   0.00120   0.01706   3.12389
   D58       -0.09424   0.00027   0.04275   0.00358   0.04630  -0.04793
   D59       -0.11712   0.00007   0.04966   0.00313   0.05275  -0.06437
   D60       -0.02805   0.00009   0.01094   0.00074   0.01169  -0.01636
   D61        3.05407   0.00023   0.03785   0.00312   0.04093   3.09500
   D62        3.03118   0.00004   0.04476   0.00268   0.04738   3.07856
   D63        3.12657   0.00001   0.00477   0.00126   0.00604   3.13261
   D64       -0.00619  -0.00000   0.00236   0.00007   0.00245  -0.00374
   D65        0.00533   0.00000  -0.00022   0.00100   0.00078   0.00611
   D66       -3.13443  -0.00002  -0.00065   0.00012  -0.00054  -3.13496
   D67       -3.11046   0.00001   0.00142   0.00174   0.00316  -3.10730
   D68        0.03297  -0.00001   0.00098   0.00086   0.00184   0.03482
   D69        0.00940   0.00001  -0.00047  -0.00007  -0.00053   0.00887
   D70       -3.10549  -0.00002  -0.00111  -0.00015  -0.00126  -3.10675
   D71       -3.13404   0.00003  -0.00003   0.00082   0.00079  -3.13325
   D72        0.03426  -0.00000  -0.00068   0.00074   0.00006   0.03432
   D73       -2.31201  -0.00001  -0.00406   0.00108  -0.00298  -2.31499
   D74        0.81984  -0.00001  -0.00576   0.00139  -0.00438   0.81546
   D75        0.83144  -0.00002  -0.00450   0.00018  -0.00431   0.82713
   D76       -2.31989  -0.00002  -0.00620   0.00050  -0.00571  -2.32560
   D77       -0.00785  -0.00003  -0.00127  -0.00048  -0.00175  -0.00960
   D78       -3.14094  -0.00004   0.00201   0.00010   0.00211  -3.13883
   D79        3.10714   0.00001  -0.00064  -0.00039  -0.00102   3.10612
   D80       -0.02595  -0.00001   0.00264   0.00020   0.00284  -0.02312
   D81        0.00951  -0.00005  -0.00133  -0.00041  -0.00173   0.00778
   D82       -3.13382  -0.00004  -0.00214  -0.00025  -0.00237  -3.13620
   D83       -3.07830  -0.00018  -0.02552  -0.00265  -0.02821  -3.10651
   D84        0.06156  -0.00017  -0.02632  -0.00249  -0.02885   0.03270
   D85       -3.06617   0.00002  -0.02831  -0.00204  -0.03042  -3.09658
   D86        0.07368   0.00002  -0.02912  -0.00188  -0.03106   0.04263
   D87        0.01266  -0.00002  -0.00866  -0.00012  -0.00880   0.00386
   D88       -3.11889  -0.00000  -0.00533   0.00040  -0.00494  -3.12383
   D89       -3.12722  -0.00002  -0.00787  -0.00028  -0.00817  -3.13539
   D90        0.02442  -0.00001  -0.00454   0.00025  -0.00431   0.02011
   D91        3.13580   0.00001   0.00458  -0.00005   0.00454   3.14034
   D92       -0.02918  -0.00000   0.00526   0.00001   0.00527  -0.02390
   D93       -0.00757   0.00001   0.00376   0.00011   0.00388  -0.00369
   D94        3.11064   0.00000   0.00444   0.00018   0.00462   3.11526
   D95       -0.01373   0.00004   0.00791   0.00028   0.00819  -0.00554
   D96        3.11780   0.00003   0.00458  -0.00025   0.00432   3.12212
   D97       -0.02157  -0.00000   0.00199  -0.00019   0.00181  -0.01976
   D98        3.10333   0.00001   0.00145  -0.00044   0.00102   3.10435
   D99        3.12995   0.00002   0.00527   0.00033   0.00563   3.13558
   D100      -0.02834   0.00002   0.00473   0.00009   0.00484  -0.02350
   D101      -0.01218  -0.00001  -0.00047  -0.00054  -0.00102  -0.01319
   D102       3.10575  -0.00000  -0.00025  -0.00040  -0.00066   3.10509
   D103      -3.12951   0.00000  -0.00119  -0.00060  -0.00179  -3.13130
   D104      -0.01158   0.00001  -0.00098  -0.00046  -0.00143  -0.01301
   D105       0.01507   0.00000  -0.00207   0.00061  -0.00146   0.01360
   D106       3.13665  -0.00000  -0.00191   0.00084  -0.00107   3.13558
   D107      -3.10309  -0.00001  -0.00227   0.00047  -0.00181  -3.10490
   D108       0.01850  -0.00001  -0.00212   0.00070  -0.00141   0.01708
   D109       0.00233   0.00000   0.00125  -0.00023   0.00103   0.00336
   D110      -3.12196  -0.00000   0.00181   0.00002   0.00185  -3.12011
   D111      -3.11890   0.00001   0.00109  -0.00047   0.00062  -3.11828
   D112       0.03999  -0.00000   0.00165  -0.00022   0.00144   0.04143
   D113      -2.27963  -0.00003  -0.00292  -0.00051  -0.00343  -2.28306
   D114       0.85595  -0.00003  -0.00192  -0.00050  -0.00242   0.85353
   D115       0.84171  -0.00004  -0.00276  -0.00027  -0.00303   0.83868
   D116      -2.30590  -0.00003  -0.00176  -0.00026  -0.00202  -2.30791
   D117      -3.13753  -0.00000  -0.00008   0.00001  -0.00007  -3.13761
   D118       0.04807  -0.00001  -0.00098   0.00008  -0.00090   0.04717
   D119      -0.00098  -0.00000  -0.00029   0.00008  -0.00021  -0.00118
   D120      -3.09856  -0.00001  -0.00119   0.00015  -0.00103  -3.09959
   D121       3.13519   0.00000  -0.00009   0.00002  -0.00008   3.13512
   D122       0.03687  -0.00000  -0.00120   0.00021  -0.00099   0.03588
   D123      -0.00135   0.00000   0.00012  -0.00006   0.00006  -0.00129
   D124      -3.09967  -0.00000  -0.00099   0.00013  -0.00086  -3.10053
   D125       3.13023   0.00000  -0.00092   0.00000  -0.00092   3.12931
   D126       0.03768   0.00001   0.00127  -0.00034   0.00093   0.03861
   D127      -0.00307  -0.00000   0.00053  -0.00026   0.00027  -0.00280
   D128      -3.09562   0.00001   0.00272  -0.00061   0.00211  -3.09350
   D129      -3.13336  -0.00000   0.00078   0.00003   0.00081  -3.13255
   D130       0.06061   0.00000   0.00256  -0.00030   0.00225   0.06286
   D131      -0.00010  -0.00000  -0.00067   0.00029  -0.00038  -0.00048
   D132      -3.08932   0.00000   0.00110  -0.00004   0.00107  -3.08825
   D133       3.12913  -0.00000   0.00037  -0.00009   0.00029   3.12942
   D134       0.03465   0.00000   0.00037  -0.00002   0.00035   0.03499
   D135      -0.00732  -0.00001  -0.00048  -0.00010  -0.00058  -0.00790
   D136      -3.10180  -0.00000  -0.00049  -0.00003  -0.00052  -3.10232
   D137      -3.13192   0.00000  -0.00050   0.00011  -0.00039  -3.13231
   D138       0.05723   0.00001  -0.00012   0.00012  -0.00000   0.05723
   D139       0.00455   0.00001   0.00035   0.00012   0.00047   0.00502
   D140      -3.08949   0.00001   0.00073   0.00013   0.00086  -3.08862
   D141       0.00495   0.00000  -0.00018   0.00013  -0.00005   0.00489
   D142      -3.12312   0.00001  -0.00172   0.00084  -0.00088  -3.12400
   D143       3.10228  -0.00001  -0.00219   0.00046  -0.00173   3.10055
   D144      -0.02579  -0.00001  -0.00372   0.00116  -0.00256  -0.02835
   D145       3.11322  -0.00001   0.00053  -0.00049   0.00004   3.11326
   D146      -0.02123  -0.00002   0.00113  -0.00098   0.00014  -0.02109
   D147       0.02607   0.00001   0.00297  -0.00088   0.00209   0.02816
   D148      -3.10838  -0.00000   0.00357  -0.00138   0.00219  -3.10619
   D149      -0.00494  -0.00000  -0.00023   0.00005  -0.00018  -0.00512
   D150       3.11773  -0.00001   0.00164  -0.00069   0.00095   3.11868
   D151       3.12053  -0.00001   0.00160  -0.00079   0.00081   3.12134
   D152      -0.03999  -0.00002   0.00346  -0.00153   0.00193  -0.03805
   D153       0.00707   0.00000   0.00208  -0.00068   0.00140   0.00847
   D154      -3.14038  -0.00000   0.00074  -0.00030   0.00043  -3.13995
   D155      -3.11678   0.00001   0.00007   0.00025   0.00031  -3.11646
   D156       0.01895   0.00001  -0.00127   0.00062  -0.00065   0.01830
   D157       0.00313   0.00000   0.00055  -0.00021   0.00034   0.00347
   D158       3.09754  -0.00001  -0.00108   0.00010  -0.00098   3.09656
   D159      -3.12260   0.00001  -0.00101   0.00041  -0.00060  -3.12320
   D160      -0.02819  -0.00000  -0.00264   0.00072  -0.00192  -0.03011
   D161      -3.11279   0.00001  -0.00040   0.00029  -0.00011  -3.11290
   D162       0.02117   0.00000  -0.00164   0.00064  -0.00100   0.02018
   D163       0.00798   0.00000   0.00165  -0.00052   0.00113   0.00911
   D164      -3.14124  -0.00000   0.00042  -0.00017   0.00024  -3.14100
   D165       3.11105  -0.00000   0.00012  -0.00017  -0.00005   3.11100
   D166      -0.01493  -0.00002  -0.00034  -0.00001  -0.00035  -0.01528
   D167       0.02754   0.00001   0.00211  -0.00054   0.00157   0.02911
   D168      -3.09843  -0.00001   0.00165  -0.00039   0.00126  -3.09717
   D169       0.00285   0.00000   0.00035  -0.00008   0.00027   0.00312
   D170      -3.12534   0.00000  -0.00185   0.00044  -0.00141  -3.12675
   D171       3.10467   0.00000   0.00111  -0.00013   0.00099   3.10565
   D172      -0.02352   0.00000  -0.00109   0.00039  -0.00069  -0.02422
   D173       3.11619   0.00000   0.00138  -0.00024   0.00114   3.11733
   D174      -0.01512  -0.00001   0.00101  -0.00033   0.00068  -0.01444
   D175       0.02345   0.00000   0.00041  -0.00017   0.00024   0.02369
   D176      -3.10786  -0.00001   0.00004  -0.00026  -0.00022  -3.10808
   D177      -0.00362  -0.00000  -0.00027   0.00004  -0.00023  -0.00385
   D178       3.12244  -0.00000   0.00213  -0.00048   0.00165   3.12408
   D179       3.12194  -0.00000   0.00234  -0.00057   0.00177   3.12371
   D180      -0.03520   0.00000   0.00474  -0.00110   0.00365  -0.03154
   D181       0.00658   0.00000   0.00121  -0.00039   0.00082   0.00740
   D182      -3.14113  -0.00000   0.00024  -0.00001   0.00023  -3.14091
   D183      -3.11737  -0.00000  -0.00167   0.00029  -0.00139  -3.11876
   D184       0.01810  -0.00000  -0.00265   0.00067  -0.00198   0.01612
   D185       0.00307   0.00000   0.00010   0.00001   0.00011   0.00318
   D186       3.10559   0.00000   0.00107  -0.00015   0.00092   3.10651
   D187      -3.12553  -0.00000  -0.00192   0.00045  -0.00147  -3.12699
   D188      -0.02301   0.00000  -0.00095   0.00029  -0.00065  -0.02366
   D189      -3.11775  -0.00000  -0.00155   0.00024  -0.00131  -3.11906
   D190       0.01808  -0.00000  -0.00247   0.00058  -0.00189   0.01619
   D191       0.00675   0.00000   0.00110  -0.00034   0.00076   0.00751
   D192      -3.14060  -0.00000   0.00018   0.00000   0.00018  -3.14042
   D193       3.11582   0.00000   0.00153  -0.00030   0.00123   3.11705
   D194      -0.01483  -0.00001   0.00145  -0.00051   0.00094  -0.01389
   D195       0.02226   0.00000   0.00031  -0.00009   0.00022   0.02248
   D196      -3.10839  -0.00001   0.00023  -0.00030  -0.00007  -3.10846
   D197       0.00716   0.00000   0.00042   0.00004   0.00046   0.00762
   D198      -3.12113   0.00000  -0.00155   0.00051  -0.00105  -3.12217
   D199       3.10625  -0.00000   0.00041  -0.00001   0.00040   3.10665
   D200      -0.02203  -0.00000  -0.00156   0.00045  -0.00111  -0.02314
   D201       3.10948  -0.00000   0.00103  -0.00038   0.00065   3.11013
   D202      -0.02148  -0.00001   0.00052  -0.00033   0.00020  -0.02128
   D203       0.02020   0.00000   0.00104  -0.00031   0.00073   0.02093
   D204      -3.11076  -0.00001   0.00053  -0.00026   0.00027  -3.11048
   D205      -0.00432  -0.00000  -0.00021   0.00003  -0.00017  -0.00449
   D206       3.11953  -0.00001   0.00207  -0.00080   0.00127   3.12081
   D207       3.12139  -0.00000   0.00215  -0.00052   0.00163   3.12302
   D208      -0.03795  -0.00001   0.00443  -0.00136   0.00308  -0.03487
   D209       0.00702   0.00000   0.00124  -0.00036   0.00088   0.00789
   D210      -3.14125  -0.00000   0.00045  -0.00014   0.00032  -3.14093
   D211      -3.11711   0.00000  -0.00135   0.00025  -0.00111  -3.11821
   D212       0.01781  -0.00000  -0.00214   0.00047  -0.00167   0.01615
   D213      -0.00011  -0.00000  -0.00009  -0.00010  -0.00018  -0.00029
   D214       3.09851  -0.00001  -0.00046  -0.00009  -0.00055   3.09796
   D215      -3.12685   0.00000  -0.00200   0.00061  -0.00139  -3.12824
   D216      -0.02824  -0.00001  -0.00237   0.00061  -0.00176  -0.03000
   D217      -3.11495   0.00001  -0.00087   0.00043  -0.00044  -3.11539
   D218       0.02009   0.00000  -0.00208   0.00079  -0.00130   0.01879
   D219       0.00712   0.00000   0.00165  -0.00049   0.00115   0.00828
   D220      -3.14102  -0.00000   0.00043  -0.00014   0.00029  -3.14072
   D221       3.11837  -0.00000   0.00121  -0.00038   0.00083   3.11920
   D222      -0.01141  -0.00001   0.00162  -0.00061   0.00101  -0.01040
   D223       0.02960   0.00001   0.00165  -0.00038   0.00127   0.03087
   D224      -3.10019   0.00000   0.00206  -0.00061   0.00145  -3.09874
   D225       0.01162  -0.00000  -0.00025   0.00017  -0.00008   0.01154
   D226      -3.13965   0.00000   0.00057  -0.00017   0.00040  -3.13925
   D227      -3.12233   0.00000   0.00099  -0.00017   0.00081  -3.12152
   D228       0.00959   0.00001   0.00180  -0.00052   0.00129   0.01087
   D229      -0.01202   0.00001  -0.00026   0.00000  -0.00026  -0.01228
   D230       3.12511  -0.00000  -0.00047  -0.00014  -0.00061   3.12450
   D231       3.13922  -0.00000  -0.00107   0.00034  -0.00072   3.13849
   D232      -0.00683  -0.00001  -0.00128   0.00020  -0.00108  -0.00791
   D233      -0.00757  -0.00001  -0.00066   0.00018  -0.00048  -0.00805
   D234       3.11858   0.00001  -0.00021   0.00003  -0.00018   3.11840
   D235       3.13846   0.00000  -0.00045   0.00032  -0.00013   3.13833
   D236      -0.01858   0.00002   0.00001   0.00017   0.00018  -0.01840
   D237      -0.00851  -0.00001  -0.00068   0.00014  -0.00053  -0.00904
   D238       3.13513  -0.00000  -0.00050   0.00024  -0.00025   3.13488
   D239       3.12604   0.00001  -0.00127   0.00063  -0.00063   3.12540
   D240      -0.01351   0.00001  -0.00109   0.00073  -0.00036  -0.01387
   D241      -0.00956   0.00000  -0.00087   0.00031  -0.00056  -0.01012
   D242       3.13914  -0.00001  -0.00145   0.00036  -0.00109   3.13805
   D243       3.12997  -0.00000  -0.00105   0.00021  -0.00084   3.12913
   D244      -0.00451  -0.00001  -0.00163   0.00026  -0.00137  -0.00588
   D245       0.01013  -0.00000   0.00015  -0.00004   0.00011   0.01025
   D246      -3.12558   0.00000   0.00149  -0.00041   0.00108  -3.12450
   D247      -3.13859   0.00001   0.00073  -0.00009   0.00064  -3.13794
   D248       0.00888   0.00001   0.00207  -0.00046   0.00161   0.01049
   D249       0.00920  -0.00000  -0.00064   0.00019  -0.00045   0.00875
   D250      -3.13921   0.00000   0.00006   0.00007   0.00013  -3.13908
   D251      -3.12662  -0.00000   0.00028  -0.00015   0.00013  -3.12650
   D252       0.00815   0.00001   0.00098  -0.00027   0.00071   0.00886
   D253      -0.00976   0.00001   0.00000   0.00001   0.00001  -0.00975
   D254       3.12905   0.00000  -0.00002   0.00000  -0.00002   3.12903
   D255       3.13863  -0.00000  -0.00070   0.00013  -0.00056   3.13807
   D256      -0.00575  -0.00001  -0.00071   0.00012  -0.00059  -0.00634
   D257      -0.00597  -0.00000   0.00017  -0.00006   0.00011  -0.00586
   D258       3.12478   0.00001   0.00025   0.00015   0.00039   3.12517
   D259       3.13839   0.00000   0.00019  -0.00006   0.00013   3.13853
   D260      -0.01404   0.00001   0.00027   0.00015   0.00042  -0.01363
   D261      -0.00718  -0.00000   0.00012  -0.00004   0.00008  -0.00710
   D262       3.13872   0.00000   0.00017  -0.00001   0.00016   3.13888
   D263       3.12422   0.00001   0.00049   0.00005   0.00054   3.12475
   D264      -0.01307   0.00001   0.00054   0.00008   0.00062  -0.01246
   D265      -0.00919   0.00001   0.00003   0.00003   0.00006  -0.00913
   D266       3.14011  -0.00000  -0.00056   0.00007  -0.00049   3.13961
   D267       3.12808   0.00000  -0.00001  -0.00000  -0.00002   3.12806
   D268      -0.00581  -0.00001  -0.00061   0.00004  -0.00058  -0.00638
   D269       0.00934  -0.00001  -0.00071   0.00019  -0.00052   0.00883
   D270      -3.12612  -0.00000   0.00027  -0.00019   0.00007  -3.12604
   D271      -3.13998   0.00000  -0.00010   0.00015   0.00004  -3.13994
   D272       0.00775   0.00001   0.00087  -0.00023   0.00063   0.00838
   D273       0.01128  -0.00000  -0.00030   0.00016  -0.00014   0.01114
   D274      -3.13974   0.00000   0.00018   0.00006   0.00024  -3.13950
   D275      -3.12375   0.00000   0.00092  -0.00020   0.00072  -3.12303
   D276       0.00841   0.00001   0.00140  -0.00030   0.00110   0.00951
   D277      -0.00957   0.00000  -0.00041   0.00008  -0.00033  -0.00991
   D278       3.12625  -0.00000  -0.00059   0.00003  -0.00056   3.12569
   D279       3.14142  -0.00000  -0.00089   0.00017  -0.00071   3.14071
   D280      -0.00594  -0.00001  -0.00107   0.00013  -0.00094  -0.00688
   D281      -0.01079  -0.00000  -0.00025   0.00003  -0.00022  -0.01101
   D282       3.11914   0.00000  -0.00066   0.00026  -0.00040   3.11874
   D283       3.13654   0.00000  -0.00007   0.00007   0.00001   3.13654
   D284      -0.01672   0.00001  -0.00047   0.00031  -0.00017  -0.01688
   D285      -0.00401  -0.00000  -0.00023   0.00009  -0.00014  -0.00414
   D286       3.13983   0.00000  -0.00018   0.00013  -0.00005   3.13978
   D287       3.12706   0.00001   0.00027   0.00004   0.00031   3.12737
   D288      -0.01229   0.00001   0.00032   0.00008   0.00040  -0.01190
   D289      -0.01054   0.00000  -0.00005  -0.00002  -0.00007  -0.01061
   D290       3.13807  -0.00000  -0.00081   0.00019  -0.00062   3.13745
   D291       3.12879   0.00000  -0.00010  -0.00005  -0.00015   3.12864
   D292      -0.00578  -0.00001  -0.00086   0.00015  -0.00070  -0.00648
   D293       0.00883  -0.00000  -0.00046   0.00015  -0.00030   0.00853
   D294      -3.12607   0.00000   0.00033  -0.00007   0.00025  -3.12581
   D295      -3.13980   0.00000   0.00030  -0.00005   0.00025  -3.13955
   D296       0.00848   0.00001   0.00109  -0.00028   0.00081   0.00929
         Item               Value     Threshold  Converged?
 Maximum Force            0.000341     0.000450     YES
 RMS     Force            0.000056     0.000300     YES
 Maximum Displacement     0.377879     0.001800     NO 
 RMS     Displacement     0.037428     0.001200     NO 
 Predicted change in Energy=-2.926024D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.034217    2.958824    0.096186
      2          6           0       -2.307940    1.594730    0.024269
      3          6           0       -1.277296    0.637542    0.005694
      4          6           0        0.060338    1.096118    0.036257
      5          6           0        0.327069    2.477162    0.098685
      6          6           0       -0.698445    3.401300    0.137100
      7          6           0       -1.551975   -0.807261   -0.067856
      8          6           0       -0.482368   -1.750680   -0.091593
      9          6           0        0.886037   -1.270911   -0.040829
     10          6           0        1.166010    0.144428    0.009586
     11          6           0       -2.867867   -1.291115   -0.100675
     12          6           0       -3.149701   -2.655584   -0.178700
     13          6           0       -2.087792   -3.576587   -0.218563
     14          6           0       -0.782321   -3.129812   -0.170001
     15          7           0        1.941879   -2.104391   -0.039818
     16          6           0        3.228851   -1.651714   -0.012458
     17          6           0        3.444951   -0.241923    0.025657
     18          7           0        2.403017    0.618916    0.038827
     19          6           0        4.329292   -2.542560   -0.018306
     20          6           0        5.601694   -2.024314    0.008850
     21          6           0        5.838115   -0.616200    0.026599
     22          6           0        4.768621    0.259207    0.032792
     23          7           0       -3.093488    3.893887    0.130486
     24          7           0       -4.485455   -3.101483   -0.217551
     25          7           0        7.164538   -0.140730    0.061673
     26          6           0       -5.027743   -4.140946    0.561661
     27          6           0       -6.401492   -4.277985    0.247047
     28          6           0       -6.706619   -3.289135   -0.766785
     29          6           0       -5.509319   -2.579566   -1.029399
     30          6           0       -3.215444    5.024902   -0.693201
     31          6           0       -4.406333    5.712824   -0.352859
     32          6           0       -5.030609    4.971701    0.723863
     33          6           0       -4.199571    3.856909    0.996106
     34          6           0        7.672599    0.830873    0.943229
     35          6           0        9.049368    1.019166    0.669014
     36          6           0        9.389680    0.135809   -0.427821
     37          6           0        8.209539   -0.563726   -0.778976
     38          6           0       -7.871091   -2.967393   -1.471704
     39          6           0       -7.826751   -1.958626   -2.429622
     40          6           0       -6.626517   -1.281187   -2.696242
     41          6           0       -5.453095   -1.582839   -2.007083
     42          6           0       -4.423696   -4.923515    1.548995
     43          6           0       -5.212284   -5.873557    2.195525
     44          6           0       -6.570324   -6.037111    1.879091
     45          6           0       -7.171694   -5.238706    0.910826
     46          6           0       -6.195479    5.164941    1.474487
     47          6           0       -6.509914    4.259101    2.483023
     48          6           0       -5.665361    3.170152    2.753148
     49          6           0       -4.500168    2.954657    2.019734
     50          6           0       -2.392306    5.460118   -1.735005
     51          6           0       -2.765690    6.617010   -2.416416
     52          6           0       -3.932618    7.321555   -2.078694
     53          6           0       -4.758577    6.871993   -1.052762
     54          6           0       10.571372   -0.101974   -1.137571
     55          6           0       10.559434   -1.018197   -2.185236
     56          6           0        9.375453   -1.686245   -2.535888
     57          6           0        8.184740   -1.465780   -1.845707
     58          6           0        7.035901    1.511646    1.983517
     59          6           0        7.795738    2.407715    2.733369
     60          6           0        9.156629    2.620456    2.461635
     61          6           0        9.789550    1.925959    1.435025
     62          1           0       -3.345140    1.294331   -0.037216
     63          1           0        1.361124    2.797706    0.133700
     64          1           0       -0.485657    4.461190    0.217605
     65          1           0       -3.703751   -0.608458   -0.038753
     66          1           0       -2.290415   -4.636973   -0.311727
     67          1           0        0.013579   -3.870262   -0.205637
     68          1           0        1.860515   -3.217632   -0.032900
     69          1           0        4.137341   -3.611686   -0.022553
     70          1           0        6.452820   -2.695020    0.039129
     71          1           0        4.910086    1.332865    0.026399
     72          1           0       -8.795103   -3.504339   -1.278358
     73          1           0       -8.724056   -1.697935   -2.981975
     74          1           0       -6.606014   -0.507772   -3.458028
     75          1           0       -4.529105   -1.065971   -2.238978
     76          1           0       -3.380683   -4.799964    1.815746
     77          1           0       -4.761927   -6.497083    2.961746
     78          1           0       -7.155515   -6.788812    2.399409
     79          1           0       -8.225971   -5.354112    0.676922
     80          1           0       -6.841874    6.014732    1.275385
     81          1           0       -7.411986    4.396682    3.070849
     82          1           0       -5.920806    2.480181    3.551662
     83          1           0       -3.848748    2.118765    2.248134
     84          1           0       -1.497281    4.916373   -2.015292
     85          1           0       -2.140177    6.975966   -3.228171
     86          1           0       -4.194174    8.220428   -2.628137
     87          1           0       -5.668376    7.409440   -0.801748
     88          1           0       11.483501    0.427217   -0.877884
     89          1           0       11.470160   -1.213205   -2.742645
     90          1           0        9.381309   -2.386603   -3.365458
     91          1           0        7.273979   -1.973588   -2.142048
     92          1           0        5.989421    1.347574    2.212840
     93          1           0        7.321195    2.949409    3.545965
     94          1           0        9.719257    3.328301    3.062139
     95          1           0       10.845727    2.079689    1.234232
     96         17           0        2.048419   -5.026748    0.013777
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0462757           0.0189211           0.0145402
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7844.5620547188 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999999   -0.001212    0.000160    0.000202 Ang=  -0.14 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58792105     A.U. after   12 cycles
            NFock= 12  Conv=0.41D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000420886    0.000059616    0.000013770
      2        6          -0.000053973    0.000047492   -0.000066171
      3        6           0.000014826   -0.000013191    0.000038429
      4        6          -0.000069232   -0.000028562    0.000034958
      5        6          -0.000007786    0.000040651   -0.000058570
      6        6           0.000152772    0.000045060    0.000014844
      7        6          -0.000155405    0.000114254   -0.000002915
      8        6           0.000335309    0.000056906   -0.000112376
      9        6          -0.000302341   -0.000440374   -0.000012252
     10        6           0.000076161    0.000283978    0.000036507
     11        6           0.000051818    0.000006113    0.000120184
     12        6          -0.000248783   -0.000169061   -0.000073279
     13        6           0.000066080   -0.000035999   -0.000025456
     14        6           0.000030228   -0.000114271    0.000065194
     15        7           0.000482939    0.000632010    0.000026065
     16        6          -0.000587904    0.000292882   -0.000011544
     17        6           0.000040821   -0.000004843    0.000000363
     18        7           0.000001001   -0.000030312    0.000053350
     19        6           0.000355130   -0.000122765    0.000068372
     20        6          -0.000053748   -0.000219510   -0.000040988
     21        6           0.000340696    0.000334957    0.000035486
     22        6          -0.000065319   -0.000048284   -0.000006457
     23        7           0.000245821   -0.000108868    0.000002363
     24        7           0.000058160    0.000159626   -0.000012440
     25        7          -0.000335041   -0.000216691   -0.000065247
     26        6           0.000046866    0.000082565    0.000045349
     27        6           0.000013708   -0.000092659   -0.000167428
     28        6          -0.000116706    0.000023597    0.000142562
     29        6           0.000194832   -0.000039322    0.000018096
     30        6           0.000085015   -0.000045589    0.000067887
     31        6          -0.000009337    0.000100440    0.000127250
     32        6          -0.000068641   -0.000050559   -0.000125726
     33        6           0.000037478   -0.000065433   -0.000052883
     34        6          -0.000021981    0.000027580    0.000001849
     35        6          -0.000020899    0.000117181   -0.000107505
     36        6           0.000098709   -0.000086173    0.000120843
     37        6          -0.000012807   -0.000042677    0.000025468
     38        6          -0.000004904   -0.000008005   -0.000117681
     39        6          -0.000090056   -0.000065615    0.000030834
     40        6           0.000085662    0.000047778    0.000012572
     41        6          -0.000027514    0.000052205   -0.000061073
     42        6           0.000008209   -0.000049892    0.000088041
     43        6           0.000094813    0.000063235   -0.000005365
     44        6          -0.000104167   -0.000043141   -0.000047046
     45        6          -0.000025040   -0.000015987    0.000126192
     46        6          -0.000023464    0.000015058    0.000100944
     47        6          -0.000101081    0.000071478   -0.000019893
     48        6           0.000079256   -0.000034849   -0.000011773
     49        6          -0.000000069   -0.000018003    0.000070809
     50        6           0.000029361    0.000025485   -0.000086169
     51        6           0.000069799   -0.000047039    0.000009898
     52        6          -0.000107747    0.000047161    0.000017615
     53        6          -0.000025501    0.000004944   -0.000096206
     54        6           0.000003103    0.000043288   -0.000095131
     55        6           0.000081636    0.000055003    0.000024002
     56        6          -0.000068167   -0.000037133    0.000004699
     57        6           0.000004498   -0.000020935   -0.000088504
     58        6          -0.000037446   -0.000000114    0.000059535
     59        6          -0.000051345   -0.000032799   -0.000001483
     60        6           0.000081471    0.000048650   -0.000011485
     61        6           0.000023075   -0.000010591    0.000090029
     62        1           0.000005963   -0.000029688   -0.000022935
     63        1          -0.000006693    0.000014934    0.000011901
     64        1           0.000023033   -0.000001468   -0.000030024
     65        1          -0.000008743    0.000019285    0.000044960
     66        1           0.000020793   -0.000002466   -0.000009611
     67        1           0.000047075    0.000086027    0.000007883
     68        1           0.000045808   -0.000800996   -0.000068213
     69        1          -0.000036067   -0.000001404   -0.000012170
     70        1           0.000009880    0.000010383    0.000028853
     71        1           0.000023138    0.000003929   -0.000000346
     72        1          -0.000000678    0.000002377    0.000019359
     73        1           0.000014518   -0.000002168   -0.000011193
     74        1           0.000002296    0.000000689   -0.000002475
     75        1          -0.000005999    0.000013629    0.000015259
     76        1           0.000019873   -0.000024335   -0.000032689
     77        1          -0.000002209   -0.000000320    0.000003959
     78        1           0.000004853    0.000014138    0.000013496
     79        1           0.000003184    0.000000032   -0.000022226
     80        1           0.000008547    0.000002763   -0.000025125
     81        1           0.000014706   -0.000007718    0.000007662
     82        1           0.000008535   -0.000005278    0.000002612
     83        1          -0.000014201   -0.000014588   -0.000004654
     84        1          -0.000008765    0.000023492    0.000002738
     85        1           0.000006302   -0.000002698   -0.000004284
     86        1           0.000013848   -0.000008090   -0.000006115
     87        1           0.000002112   -0.000005414    0.000022450
     88        1          -0.000000778   -0.000004779    0.000020528
     89        1          -0.000012835   -0.000002117   -0.000007792
     90        1          -0.000003883   -0.000000545   -0.000004306
     91        1           0.000019559   -0.000013959    0.000014493
     92        1           0.000007737    0.000022830   -0.000001712
     93        1          -0.000004530   -0.000001738    0.000001954
     94        1          -0.000008012   -0.000010287    0.000006545
     95        1          -0.000000342   -0.000002714   -0.000018477
     96       17          -0.000259987    0.000188316   -0.000051615
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000800996 RMS     0.000117199

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000491852 RMS     0.000062203
 Search for a local minimum.
 Step number  20 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20
 DE= -3.52D-05 DEPred=-2.93D-05 R= 1.20D+00
 TightC=F SS=  1.41D+00  RLast= 1.34D-01 DXNew= 5.0454D+00 4.0343D-01
 Trust test= 1.20D+00 RLast= 1.34D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00238   0.00819   0.01336   0.02186   0.02501
     Eigenvalues ---    0.02712   0.02725   0.02734   0.02743   0.02745
     Eigenvalues ---    0.02752   0.02758   0.02767   0.02775   0.02784
     Eigenvalues ---    0.02788   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02797   0.02805   0.02811   0.02816   0.02817
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02823   0.02825
     Eigenvalues ---    0.02831   0.02833   0.02838   0.02842   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02851
     Eigenvalues ---    0.02855   0.02857   0.02863   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02871   0.02872
     Eigenvalues ---    0.02874   0.02876   0.02876   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02883   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02886   0.02890   0.02894   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02903   0.02909
     Eigenvalues ---    0.02910   0.02923   0.02937   0.02942   0.02946
     Eigenvalues ---    0.02971   0.03005   0.03024   0.03034   0.03082
     Eigenvalues ---    0.03126   0.03128   0.03135   0.03141   0.03157
     Eigenvalues ---    0.03259   0.03298   0.03529   0.05752   0.11302
     Eigenvalues ---    0.14692   0.15698   0.15942   0.15994   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16005   0.16010   0.16031
     Eigenvalues ---    0.16050   0.16073   0.16170   0.17875   0.20226
     Eigenvalues ---    0.21978   0.21999   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22011   0.22366   0.22430   0.22489   0.22595
     Eigenvalues ---    0.22600   0.22601   0.22605   0.22639   0.22651
     Eigenvalues ---    0.22973   0.23510   0.23517   0.23898   0.24166
     Eigenvalues ---    0.24475   0.24479   0.24490   0.24512   0.24520
     Eigenvalues ---    0.24633   0.24681   0.24793   0.24922   0.24967
     Eigenvalues ---    0.24971   0.24974   0.24976   0.24979   0.24998
     Eigenvalues ---    0.25000   0.25005   0.25007   0.25020   0.25058
     Eigenvalues ---    0.25114   0.25382   0.25663   0.30388   0.32939
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33284   0.33325   0.33335   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33456   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33679
     Eigenvalues ---    0.33846   0.33863   0.33880   0.33890   0.33898
     Eigenvalues ---    0.33908   0.33935   0.33960   0.33998   0.34341
     Eigenvalues ---    0.34780   0.35144   0.35969   0.44453   0.44471
     Eigenvalues ---    0.44722   0.45255   0.47801   0.48240   0.48531
     Eigenvalues ---    0.48956   0.48958   0.49614   0.49744   0.50204
     Eigenvalues ---    0.50285   0.50366   0.50398   0.50595   0.50612
     Eigenvalues ---    0.50677   0.51405   0.52664   0.52915   0.53507
     Eigenvalues ---    0.53974   0.54087   0.54113   0.54194   0.54199
     Eigenvalues ---    0.54211   0.54822   0.55004   0.55145   0.55415
     Eigenvalues ---    0.55521   0.55682   0.55762   0.55903   0.55937
     Eigenvalues ---    0.56096   0.56127   0.56147   0.56201   0.56253
     Eigenvalues ---    0.56350   0.56610   0.56662   0.56665   0.56666
     Eigenvalues ---    0.56680   0.56692   0.56708   0.56792   0.56904
     Eigenvalues ---    0.56915   0.56999   0.57160   0.57161   0.57167
     Eigenvalues ---    0.57172   0.57179   0.57234   0.59933   0.61561
     Eigenvalues ---    0.63361   0.65861   0.66111   0.66338   0.67620
     Eigenvalues ---    0.67709   0.67842   0.69618   0.69922   0.70073
     Eigenvalues ---    0.73888   0.76186
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    20   19   18   17   16   15   14   13   12   11
 RFO step:  Lambda=-1.50703934D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.82770   -1.26744   -0.65517    1.45989   -0.06916
                  RFO-DIIS coefs:   -0.34023   -0.42537    0.55402   -0.12672    0.04246
 Iteration  1 RMS(Cart)=  0.01701930 RMS(Int)=  0.00004145
 Iteration  2 RMS(Cart)=  0.00008355 RMS(Int)=  0.00002753
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002753
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63266   0.00001  -0.00008   0.00000  -0.00008   2.63258
    R2        2.66025   0.00018   0.00019   0.00021   0.00040   2.66065
    R3        2.67085  -0.00027  -0.00011  -0.00030  -0.00041   2.67044
    R4        2.65826   0.00006   0.00031  -0.00015   0.00016   2.65842
    R5        2.04388   0.00001  -0.00016   0.00026   0.00010   2.04398
    R6        2.67280   0.00012  -0.00058   0.00038  -0.00019   2.67261
    R7        2.78266   0.00006   0.00072  -0.00057   0.00016   2.78282
    R8        2.66064   0.00002   0.00029  -0.00016   0.00013   2.66077
    R9        2.75728   0.00014   0.00079  -0.00023   0.00055   2.75783
   R10        2.60973  -0.00002  -0.00013   0.00006  -0.00007   2.60966
   R11        2.04688   0.00000  -0.00007   0.00008   0.00001   2.04689
   R12        2.04853  -0.00001  -0.00001   0.00001   0.00000   2.04853
   R13        2.69553   0.00006  -0.00046   0.00028  -0.00018   2.69535
   R14        2.65018   0.00001   0.00029  -0.00021   0.00008   2.65026
   R15        2.74192  -0.00040   0.00065  -0.00065  -0.00000   2.74192
   R16        2.67122  -0.00002   0.00016  -0.00018  -0.00002   2.67120
   R17        2.72809   0.00015   0.00016   0.00032   0.00048   2.72857
   R18        2.54201  -0.00015   0.00035  -0.00028   0.00003   2.54204
   R19        2.50428   0.00006   0.00005   0.00005   0.00015   2.50443
   R20        2.63703   0.00013   0.00005   0.00013   0.00018   2.63720
   R21        2.04279   0.00002  -0.00023   0.00033   0.00010   2.04290
   R22        2.65739   0.00011   0.00017   0.00009   0.00025   2.65765
   R23        2.66215  -0.00021  -0.00071   0.00003  -0.00068   2.66147
   R24        2.60907  -0.00002  -0.00021   0.00015  -0.00006   2.60901
   R25        2.04768   0.00000  -0.00007   0.00010   0.00003   2.04771
   R26        2.05537  -0.00000  -0.00013  -0.00026  -0.00039   2.05498
   R27        2.57860  -0.00023  -0.00072   0.00007  -0.00070   2.57791
   R28        2.10937   0.00041   0.00878   0.00130   0.01016   2.11953
   R29        5.52705   0.00014  -0.00708  -0.00037  -0.00753   5.51952
   R30        2.69620   0.00001  -0.00028   0.00008  -0.00020   2.69599
   R31        2.67556   0.00030   0.00022   0.00052   0.00073   2.67629
   R32        2.55417   0.00014   0.00003   0.00002   0.00010   2.55427
   R33        2.67467   0.00003  -0.00009   0.00010   0.00000   2.67467
   R34        2.59679  -0.00008   0.00004  -0.00022  -0.00018   2.59661
   R35        2.05268   0.00000  -0.00011  -0.00008  -0.00018   2.05249
   R36        2.69840   0.00016   0.00003   0.00024   0.00028   2.69868
   R37        2.04857   0.00001  -0.00005   0.00006   0.00001   2.04858
   R38        2.61178   0.00010   0.00030  -0.00003   0.00027   2.61206
   R39        2.66357  -0.00031  -0.00066  -0.00012  -0.00077   2.66280
   R40        2.04649   0.00000  -0.00006   0.00007   0.00001   2.04650
   R41        2.65406   0.00001   0.00017  -0.00016   0.00001   2.65407
   R42        2.65511   0.00002   0.00025  -0.00021   0.00004   2.65514
   R43        2.66024   0.00002   0.00044  -0.00027   0.00016   2.66041
   R44        2.65894  -0.00009   0.00058  -0.00042   0.00016   2.65910
   R45        2.65860   0.00009   0.00043  -0.00010   0.00033   2.65893
   R46        2.65750   0.00006   0.00035  -0.00012   0.00022   2.65772
   R47        2.67578   0.00008  -0.00014   0.00018   0.00005   2.67583
   R48        2.64029   0.00006   0.00006   0.00006   0.00012   2.64041
   R49        2.73768   0.00003  -0.00011   0.00008  -0.00003   2.73765
   R50        2.64345   0.00006   0.00016  -0.00003   0.00014   2.64359
   R51        2.67647   0.00010  -0.00019   0.00022   0.00003   2.67650
   R52        2.64320   0.00005   0.00016  -0.00003   0.00014   2.64334
   R53        2.64054   0.00006  -0.00001   0.00011   0.00009   2.64064
   R54        2.67734   0.00009  -0.00003   0.00014   0.00011   2.67745
   R55        2.64043   0.00008   0.00007   0.00008   0.00015   2.64058
   R56        2.73737   0.00001  -0.00022   0.00012  -0.00011   2.73727
   R57        2.64400   0.00005   0.00013  -0.00000   0.00013   2.64413
   R58        2.67749   0.00007  -0.00003   0.00009   0.00006   2.67755
   R59        2.64406   0.00005   0.00014  -0.00000   0.00014   2.64420
   R60        2.64037   0.00005   0.00010   0.00000   0.00010   2.64046
   R61        2.67658   0.00007  -0.00012   0.00014   0.00002   2.67660
   R62        2.63956   0.00006   0.00001   0.00011   0.00012   2.63968
   R63        2.73794   0.00004  -0.00017   0.00010  -0.00008   2.73786
   R64        2.64353   0.00005   0.00014  -0.00004   0.00010   2.64364
   R65        2.67607   0.00007  -0.00008   0.00011   0.00003   2.67611
   R66        2.64338   0.00004   0.00012  -0.00003   0.00009   2.64347
   R67        2.64037   0.00007   0.00006   0.00007   0.00013   2.64050
   R68        2.63017  -0.00001   0.00008  -0.00011  -0.00003   2.63015
   R69        2.05233   0.00000  -0.00003   0.00003  -0.00000   2.05232
   R70        2.65274   0.00009   0.00010   0.00006   0.00016   2.65290
   R71        2.05121  -0.00001  -0.00001  -0.00001  -0.00001   2.05120
   R72        2.63402  -0.00002   0.00003  -0.00009  -0.00006   2.63396
   R73        2.05182   0.00000  -0.00000   0.00001   0.00000   2.05182
   R74        2.04814   0.00000  -0.00008   0.00007  -0.00001   2.04813
   R75        2.63375  -0.00003   0.00003  -0.00011  -0.00008   2.63367
   R76        2.04780   0.00000  -0.00014   0.00015   0.00000   2.04781
   R77        2.65313   0.00010   0.00008   0.00008   0.00016   2.65329
   R78        2.05164   0.00000   0.00001  -0.00000   0.00001   2.05165
   R79        2.62980  -0.00002   0.00008  -0.00011  -0.00003   2.62977
   R80        2.05123  -0.00001   0.00000  -0.00002  -0.00002   2.05122
   R81        2.05236   0.00000  -0.00004   0.00004   0.00000   2.05236
   R82        2.62975  -0.00001   0.00003  -0.00005  -0.00003   2.62972
   R83        2.05243  -0.00000  -0.00002   0.00001  -0.00000   2.05243
   R84        2.65374   0.00009   0.00016   0.00003   0.00020   2.65393
   R85        2.05120  -0.00001  -0.00000  -0.00002  -0.00002   2.05118
   R86        2.63345  -0.00002  -0.00007  -0.00001  -0.00008   2.63337
   R87        2.05184   0.00000  -0.00000   0.00002   0.00002   2.05186
   R88        2.04861  -0.00000  -0.00000   0.00000   0.00000   2.04862
   R89        2.63353  -0.00001  -0.00006  -0.00001  -0.00007   2.63346
   R90        2.04867  -0.00002   0.00000  -0.00004  -0.00004   2.04863
   R91        2.65381   0.00009   0.00015   0.00002   0.00017   2.65398
   R92        2.05195   0.00001   0.00000   0.00001   0.00002   2.05197
   R93        2.62995  -0.00001   0.00006  -0.00008  -0.00002   2.62993
   R94        2.05126  -0.00001   0.00001  -0.00003  -0.00002   2.05124
   R95        2.05241   0.00000  -0.00003   0.00003  -0.00000   2.05241
   R96        2.63019  -0.00001   0.00009  -0.00009  -0.00000   2.63019
   R97        2.05230   0.00000  -0.00003   0.00003  -0.00000   2.05230
   R98        2.65307   0.00008   0.00009   0.00003   0.00012   2.65319
   R99        2.05116  -0.00001  -0.00000  -0.00002  -0.00002   2.05114
   R100       2.63395  -0.00001   0.00002  -0.00006  -0.00004   2.63391
   R101       2.05166   0.00000   0.00000   0.00001   0.00001   2.05166
   R102       2.04856  -0.00001  -0.00008   0.00005  -0.00003   2.04853
   R103       2.63383   0.00000   0.00002  -0.00003  -0.00001   2.63382
   R104       2.04809  -0.00002  -0.00003  -0.00003  -0.00007   2.04802
   R105       2.65311   0.00007   0.00012   0.00000   0.00012   2.65323
   R106       2.05184   0.00000   0.00000   0.00001   0.00001   2.05185
   R107       2.62994  -0.00001   0.00007  -0.00008  -0.00002   2.62992
   R108       2.05120  -0.00001  -0.00001  -0.00001  -0.00002   2.05119
   R109       2.05230   0.00000  -0.00003   0.00003  -0.00000   2.05230
   R110       3.43826  -0.00039  -0.01751  -0.00073  -0.01816   3.42009
    A1        2.08943  -0.00004  -0.00008  -0.00008  -0.00016   2.08927
    A2        2.09647   0.00002   0.00019  -0.00007   0.00011   2.09658
    A3        2.09729   0.00001  -0.00010   0.00016   0.00005   2.09734
    A4        2.12115  -0.00001  -0.00008  -0.00006  -0.00014   2.12101
    A5        2.05252   0.00003  -0.00020   0.00050   0.00030   2.05281
    A6        2.10932  -0.00003   0.00026  -0.00043  -0.00017   2.10915
    A7        2.06237   0.00003   0.00012   0.00016   0.00028   2.06265
    A8        2.13133  -0.00002   0.00018  -0.00042  -0.00024   2.13109
    A9        2.08934  -0.00000  -0.00032   0.00025  -0.00006   2.08928
   A10        2.09226  -0.00002  -0.00000  -0.00010  -0.00010   2.09216
   A11        2.09994  -0.00001  -0.00005   0.00014   0.00009   2.10003
   A12        2.09098   0.00003   0.00006  -0.00004   0.00002   2.09099
   A13        2.11407  -0.00000  -0.00005  -0.00006  -0.00011   2.11396
   A14        2.06300   0.00002   0.00001   0.00015   0.00016   2.06316
   A15        2.10596  -0.00002   0.00005  -0.00008  -0.00003   2.10593
   A16        2.08688   0.00004   0.00005   0.00014   0.00020   2.08708
   A17        2.08947   0.00001   0.00002   0.00003   0.00006   2.08953
   A18        2.10665  -0.00004  -0.00007  -0.00017  -0.00023   2.10641
   A19        2.10586  -0.00004   0.00030  -0.00025   0.00005   2.10592
   A20        2.11148   0.00014  -0.00038   0.00030  -0.00009   2.11138
   A21        2.06578  -0.00010   0.00007  -0.00004   0.00003   2.06581
   A22        2.08050   0.00004   0.00043  -0.00007   0.00035   2.08085
   A23        2.07955   0.00012  -0.00025   0.00008  -0.00016   2.07939
   A24        2.12312  -0.00017  -0.00017  -0.00001  -0.00018   2.12294
   A25        2.10400   0.00016  -0.00095   0.00060  -0.00030   2.10370
   A26        2.13578  -0.00028   0.00018  -0.00039  -0.00015   2.13563
   A27        2.04341   0.00012   0.00075  -0.00021   0.00045   2.04385
   A28        2.08649  -0.00014   0.00064  -0.00065  -0.00000   2.08649
   A29        2.06395   0.00027  -0.00055   0.00064   0.00009   2.06404
   A30        2.13273  -0.00013  -0.00008   0.00001  -0.00008   2.13265
   A31        2.12724   0.00002   0.00022  -0.00004   0.00017   2.12741
   A32        2.10172  -0.00003  -0.00013  -0.00026  -0.00038   2.10133
   A33        2.05389   0.00001  -0.00011   0.00030   0.00019   2.05407
   A34        2.08228   0.00001  -0.00044   0.00012  -0.00033   2.08196
   A35        2.09733  -0.00001   0.00022  -0.00011   0.00011   2.09744
   A36        2.10358   0.00000   0.00022  -0.00001   0.00021   2.10379
   A37        2.09565  -0.00004   0.00014  -0.00013   0.00001   2.09566
   A38        2.09688   0.00004   0.00006   0.00011   0.00017   2.09705
   A39        2.09036  -0.00000  -0.00017   0.00002  -0.00016   2.09020
   A40        2.11567  -0.00001   0.00022   0.00000   0.00022   2.11589
   A41        2.10684  -0.00009  -0.00034  -0.00046  -0.00081   2.10603
   A42        2.06061   0.00011   0.00013   0.00045   0.00058   2.06118
   A43        2.13502  -0.00000  -0.00142   0.00026  -0.00094   2.13408
   A44        2.16607  -0.00015   0.00173  -0.00199   0.00002   2.16609
   A45        2.27536  -0.00049  -0.00236   0.00046  -0.00174   2.27361
   A46        1.98174   0.00016  -0.00106   0.00174   0.00092   1.98266
   A47        1.87208   0.00049   0.00320  -0.00070   0.00269   1.87476
   A48        2.06143   0.00005   0.00127  -0.00002   0.00116   2.06259
   A49        2.12262  -0.00009  -0.00116   0.00023  -0.00087   2.12175
   A50        2.09914   0.00004  -0.00012  -0.00021  -0.00030   2.09884
   A51        2.10927   0.00000  -0.00021  -0.00014  -0.00035   2.10892
   A52        2.08476  -0.00006   0.00006  -0.00006  -0.00001   2.08475
   A53        2.08908   0.00006   0.00013   0.00020   0.00034   2.08942
   A54        2.08440  -0.00004  -0.00036   0.00010  -0.00020   2.08421
   A55        2.07408  -0.00001   0.00016   0.00022   0.00036   2.07444
   A56        2.07369  -0.00003   0.00028  -0.00023   0.00006   2.07375
   A57        2.13519   0.00004  -0.00046   0.00004  -0.00042   2.13477
   A58        2.12405  -0.00002  -0.00008  -0.00009  -0.00017   2.12388
   A59        2.08772   0.00003  -0.00016   0.00025   0.00008   2.08780
   A60        2.07119  -0.00000   0.00025  -0.00017   0.00008   2.07127
   A61        2.09040   0.00000  -0.00016  -0.00007  -0.00022   2.09017
   A62        2.08147  -0.00002   0.00009  -0.00011  -0.00002   2.08145
   A63        2.11114   0.00002   0.00007   0.00019   0.00025   2.11140
   A64        2.09370   0.00006   0.00012   0.00022   0.00034   2.09405
   A65        2.06367  -0.00001   0.00002  -0.00004  -0.00002   2.06365
   A66        2.12568  -0.00005  -0.00015  -0.00018  -0.00033   2.12534
   A67        2.19398  -0.00000   0.00002   0.00002   0.00004   2.19402
   A68        2.19883  -0.00001   0.00010  -0.00014  -0.00004   2.19879
   A69        1.89037   0.00001  -0.00012   0.00012  -0.00000   1.89036
   A70        2.19409  -0.00002   0.00032  -0.00025   0.00008   2.19416
   A71        2.19996  -0.00002   0.00001  -0.00001  -0.00000   2.19996
   A72        1.88910   0.00003  -0.00033   0.00026  -0.00007   1.88903
   A73        2.19988   0.00003   0.00006   0.00013   0.00019   2.20007
   A74        2.19315  -0.00001   0.00017  -0.00022  -0.00005   2.19310
   A75        1.89015  -0.00001  -0.00024   0.00009  -0.00014   1.89000
   A76        1.89886  -0.00001   0.00008  -0.00009  -0.00001   1.89885
   A77        2.26294   0.00002  -0.00018   0.00019   0.00001   2.26294
   A78        2.12028  -0.00001   0.00006  -0.00007  -0.00001   2.12027
   A79        1.86897  -0.00001   0.00009  -0.00004   0.00005   1.86902
   A80        2.08888  -0.00001  -0.00002  -0.00000  -0.00002   2.08886
   A81        2.32525   0.00002  -0.00008   0.00004  -0.00004   2.32521
   A82        1.86886  -0.00002   0.00011  -0.00010   0.00001   1.86888
   A83        2.32546   0.00003  -0.00002   0.00004   0.00002   2.32548
   A84        2.08874  -0.00001  -0.00009   0.00005  -0.00005   2.08869
   A85        1.89898   0.00001   0.00006  -0.00003   0.00002   1.89900
   A86        2.26402  -0.00000  -0.00030   0.00024  -0.00006   2.26396
   A87        2.11895  -0.00001   0.00022  -0.00018   0.00003   2.11899
   A88        1.89982  -0.00000   0.00001  -0.00002  -0.00002   1.89980
   A89        2.26134   0.00003  -0.00011   0.00020   0.00009   2.26144
   A90        2.12122  -0.00003   0.00009  -0.00017  -0.00008   2.12114
   A91        1.86752  -0.00001   0.00006  -0.00005   0.00001   1.86753
   A92        2.08716   0.00001  -0.00002   0.00004   0.00003   2.08719
   A93        2.32843  -0.00001  -0.00005  -0.00000  -0.00004   2.32839
   A94        1.86774   0.00000   0.00010  -0.00007   0.00003   1.86777
   A95        2.32801  -0.00001  -0.00012   0.00006  -0.00006   2.32795
   A96        2.08736   0.00001   0.00003  -0.00000   0.00003   2.08739
   A97        1.89933  -0.00000  -0.00004   0.00002  -0.00002   1.89931
   A98        2.26233   0.00002  -0.00000   0.00005   0.00005   2.26238
   A99        2.12076  -0.00002   0.00004  -0.00008  -0.00004   2.12072
   A100       1.89814  -0.00000   0.00000  -0.00001  -0.00001   1.89813
   A101       2.26355   0.00002  -0.00014   0.00024   0.00011   2.26366
   A102       2.12055  -0.00002   0.00012  -0.00023  -0.00011   2.12044
   A103       1.86902   0.00001   0.00012  -0.00004   0.00008   1.86910
   A104       2.08803   0.00000  -0.00001   0.00008   0.00007   2.08810
   A105       2.32605  -0.00001  -0.00011  -0.00005  -0.00015   2.32590
   A106       1.86832   0.00000   0.00008  -0.00004   0.00003   1.86836
   A107       2.32702  -0.00001  -0.00008  -0.00003  -0.00011   2.32691
   A108       2.08773   0.00000  -0.00000   0.00006   0.00006   2.08780
   A109       1.89911   0.00001   0.00004   0.00001   0.00004   1.89916
   A110       2.26190   0.00001  -0.00013   0.00016   0.00003   2.26192
   A111       2.12119  -0.00002   0.00007  -0.00016  -0.00010   2.12109
   A112       2.07951   0.00001  -0.00005   0.00008   0.00003   2.07953
   A113       2.10003  -0.00002   0.00022  -0.00024  -0.00001   2.10001
   A114       2.10362   0.00001  -0.00017   0.00016  -0.00001   2.10360
   A115       2.10334  -0.00000   0.00004  -0.00006  -0.00002   2.10332
   A116       2.09204   0.00001  -0.00015   0.00017   0.00002   2.09206
   A117       2.08777  -0.00001   0.00010  -0.00011  -0.00000   2.08777
   A118       2.11934   0.00002  -0.00004   0.00005   0.00002   2.11935
   A119       2.08651  -0.00001  -0.00002  -0.00000  -0.00002   2.08649
   A120       2.07733  -0.00001   0.00005  -0.00005   0.00001   2.07733
   A121       2.05606  -0.00000  -0.00009   0.00009  -0.00001   2.05605
   A122       2.12255  -0.00000   0.00001   0.00001   0.00001   2.12256
   A123       2.10448   0.00000   0.00009  -0.00010  -0.00001   2.10447
   A124       2.05442  -0.00000  -0.00000   0.00003   0.00002   2.05444
   A125       2.12494  -0.00000  -0.00009   0.00005  -0.00004   2.12489
   A126       2.10380   0.00000   0.00010  -0.00007   0.00003   2.10383
   A127       2.12018   0.00002  -0.00003   0.00005   0.00002   2.12020
   A128       2.07621  -0.00001   0.00006  -0.00003   0.00003   2.07624
   A129       2.08680  -0.00001  -0.00004  -0.00001  -0.00005   2.08675
   A130       2.10363  -0.00000  -0.00000  -0.00003  -0.00003   2.10361
   A131       2.08761  -0.00001   0.00012  -0.00012  -0.00001   2.08760
   A132       2.09193   0.00001  -0.00011   0.00015   0.00003   2.09196
   A133       2.07859   0.00001  -0.00002   0.00005   0.00003   2.07862
   A134       2.10048  -0.00002   0.00020  -0.00024  -0.00004   2.10044
   A135       2.10409   0.00001  -0.00017   0.00019   0.00001   2.10411
   A136       2.07946   0.00000  -0.00006   0.00008   0.00002   2.07948
   A137       2.10041  -0.00003   0.00016  -0.00027  -0.00010   2.10031
   A138       2.10329   0.00002  -0.00010   0.00019   0.00009   2.10338
   A139       2.10398  -0.00002  -0.00001  -0.00007  -0.00008   2.10390
   A140       2.09180   0.00002  -0.00014   0.00025   0.00010   2.09190
   A141       2.08739  -0.00001   0.00015  -0.00018  -0.00002   2.08736
   A142       2.11944   0.00003   0.00005   0.00003   0.00008   2.11952
   A143       2.08603  -0.00000   0.00002  -0.00002  -0.00000   2.08602
   A144       2.07772  -0.00002  -0.00007  -0.00000  -0.00008   2.07764
   A145       2.05510  -0.00000  -0.00005   0.00005  -0.00000   2.05510
   A146       2.12115   0.00001   0.00005  -0.00000   0.00005   2.12120
   A147       2.10689  -0.00001   0.00000  -0.00005  -0.00004   2.10684
   A148       2.05477   0.00000  -0.00007   0.00009   0.00001   2.05479
   A149       2.12105   0.00001   0.00001   0.00006   0.00007   2.12112
   A150       2.10732  -0.00002   0.00006  -0.00014  -0.00008   2.10724
   A151       2.11943   0.00003   0.00004   0.00005   0.00008   2.11951
   A152       2.07787  -0.00002  -0.00007   0.00001  -0.00006   2.07780
   A153       2.08588  -0.00001   0.00003  -0.00006  -0.00002   2.08586
   A154       2.10409  -0.00002   0.00001  -0.00009  -0.00008   2.10401
   A155       2.08741  -0.00001   0.00015  -0.00015  -0.00001   2.08740
   A156       2.09166   0.00002  -0.00015   0.00024   0.00009   2.09175
   A157       2.07941   0.00001  -0.00006   0.00009   0.00003   2.07944
   A158       2.10047  -0.00002   0.00017  -0.00025  -0.00008   2.10039
   A159       2.10328   0.00002  -0.00011   0.00016   0.00005   2.10333
   A160       2.07897   0.00001  -0.00004   0.00006   0.00002   2.07899
   A161       2.10059  -0.00002   0.00018  -0.00022  -0.00004   2.10055
   A162       2.10360   0.00001  -0.00015   0.00016   0.00002   2.10362
   A163       2.10420  -0.00001  -0.00001  -0.00007  -0.00007   2.10413
   A164       2.09165   0.00002  -0.00011   0.00017   0.00006   2.09171
   A165       2.08730  -0.00001   0.00012  -0.00011   0.00001   2.08731
   A166       2.11940   0.00002   0.00002   0.00004   0.00006   2.11946
   A167       2.08661  -0.00001  -0.00001  -0.00001  -0.00002   2.08659
   A168       2.07716  -0.00001  -0.00001  -0.00003  -0.00004   2.07712
   A169       2.05443  -0.00000  -0.00005   0.00008   0.00003   2.05446
   A170       2.12473   0.00001   0.00003   0.00003   0.00006   2.12479
   A171       2.10396  -0.00001   0.00002  -0.00011  -0.00009   2.10387
   A172       2.05503  -0.00000  -0.00008   0.00012   0.00004   2.05507
   A173       2.12226   0.00001   0.00011   0.00002   0.00013   2.12239
   A174       2.10585  -0.00001  -0.00002  -0.00015  -0.00017   2.10568
   A175       2.11968   0.00002   0.00003   0.00003   0.00006   2.11974
   A176       2.07730  -0.00001  -0.00005   0.00000  -0.00005   2.07725
   A177       2.08621  -0.00001   0.00001  -0.00003  -0.00001   2.08619
   A178       2.10364  -0.00001  -0.00001  -0.00008  -0.00009   2.10355
   A179       2.08768  -0.00000   0.00010  -0.00010   0.00001   2.08769
   A180       2.09185   0.00002  -0.00009   0.00017   0.00008   2.09193
   A181       2.07919   0.00001  -0.00006   0.00009   0.00003   2.07922
   A182       2.10028  -0.00002   0.00014  -0.00021  -0.00007   2.10021
   A183       2.10369   0.00001  -0.00008   0.00012   0.00004   2.10373
    D1        0.01220   0.00001   0.00034   0.00009   0.00043   0.01263
    D2       -3.10838   0.00001   0.00158   0.00003   0.00161  -3.10677
    D3       -3.12728  -0.00000  -0.00022   0.00013  -0.00009  -3.12737
    D4        0.03533   0.00001   0.00102   0.00007   0.00109   0.03642
    D5        0.00563  -0.00000   0.00085   0.00006   0.00091   0.00654
    D6       -3.11547  -0.00002   0.00006  -0.00048  -0.00042  -3.11589
    D7       -3.13808   0.00000   0.00141   0.00002   0.00143  -3.13665
    D8        0.02401  -0.00001   0.00062  -0.00051   0.00010   0.02411
    D9       -2.26304  -0.00001   0.00108  -0.00077   0.00031  -2.26273
   D10        0.88462  -0.00001   0.00075  -0.00089  -0.00014   0.88448
   D11        0.88068  -0.00002   0.00053  -0.00073  -0.00021   0.88047
   D12       -2.25485  -0.00002   0.00020  -0.00085  -0.00066  -2.25551
   D13       -0.02090  -0.00001  -0.00180  -0.00020  -0.00199  -0.02289
   D14        3.13981   0.00001  -0.00165   0.00030  -0.00134   3.13847
   D15        3.09900  -0.00001  -0.00308  -0.00013  -0.00321   3.09579
   D16       -0.02347  -0.00000  -0.00293   0.00037  -0.00256  -0.02603
   D17        0.01218   0.00000   0.00209   0.00016   0.00224   0.01442
   D18       -3.13432   0.00002   0.00404   0.00068   0.00472  -3.12961
   D19        3.13513  -0.00001   0.00195  -0.00034   0.00161   3.13673
   D20       -0.01138   0.00001   0.00390   0.00019   0.00408  -0.00730
   D21        3.13609  -0.00008  -0.00755  -0.00176  -0.00932   3.12677
   D22       -0.01848  -0.00008  -0.00865  -0.00146  -0.01013  -0.02860
   D23        0.01390  -0.00006  -0.00741  -0.00126  -0.00866   0.00524
   D24       -3.14066  -0.00007  -0.00851  -0.00096  -0.00947   3.13305
   D25        0.00517   0.00000  -0.00096  -0.00001  -0.00097   0.00421
   D26        3.12812   0.00000  -0.00033   0.00005  -0.00028   3.12784
   D27       -3.13153  -0.00002  -0.00290  -0.00053  -0.00343  -3.13496
   D28       -0.00858  -0.00002  -0.00227  -0.00048  -0.00274  -0.01133
   D29       -0.00595   0.00005   0.00360   0.00060   0.00420  -0.00175
   D30        3.14074   0.00003   0.00107   0.00071   0.00175  -3.14069
   D31        3.13074   0.00007   0.00555   0.00112   0.00667   3.13741
   D32       -0.00576   0.00005   0.00301   0.00123   0.00422  -0.00154
   D33       -0.01422  -0.00000  -0.00053  -0.00010  -0.00063  -0.01485
   D34        3.10668   0.00001   0.00027   0.00044   0.00071   3.10739
   D35       -3.13671  -0.00000  -0.00118  -0.00016  -0.00134  -3.13805
   D36       -0.01582   0.00001  -0.00037   0.00038   0.00001  -0.01581
   D37        0.00118   0.00006   0.00323   0.00150   0.00473   0.00592
   D38       -3.13555   0.00001   0.00091   0.00067   0.00158  -3.13397
   D39       -3.12777   0.00006   0.00432   0.00120   0.00552  -3.12225
   D40        0.01868   0.00001   0.00199   0.00038   0.00237   0.02105
   D41        3.13450  -0.00002  -0.00078  -0.00096  -0.00173   3.13277
   D42       -0.03604  -0.00002  -0.00172  -0.00104  -0.00276  -0.03880
   D43       -0.01977  -0.00002  -0.00186  -0.00067  -0.00253  -0.02230
   D44        3.09287  -0.00003  -0.00280  -0.00075  -0.00355   3.08933
   D45       -0.01874   0.00000   0.00439  -0.00071   0.00367  -0.01507
   D46        3.12424   0.00000   0.00320  -0.00109   0.00211   3.12635
   D47        3.11787   0.00005   0.00677   0.00014   0.00690   3.12477
   D48       -0.02233   0.00005   0.00558  -0.00024   0.00534  -0.01699
   D49       -0.00438   0.00001  -0.00058   0.00011  -0.00047  -0.00485
   D50        3.12453   0.00001  -0.00073  -0.00041  -0.00114   3.12339
   D51       -3.14099  -0.00004  -0.00297  -0.00074  -0.00370   3.13849
   D52       -0.01209  -0.00004  -0.00311  -0.00126  -0.00437  -0.01646
   D53        0.02124  -0.00006  -0.00784  -0.00034  -0.00817   0.01308
   D54       -3.12565  -0.00003  -0.00520  -0.00045  -0.00562  -3.13127
   D55       -3.12166  -0.00006  -0.00670   0.00002  -0.00669  -3.12836
   D56        0.01462  -0.00003  -0.00406  -0.00009  -0.00414   0.01048
   D57        3.12389   0.00005   0.00531   0.00007   0.00535   3.12924
   D58       -0.04793   0.00003   0.00465   0.00058   0.00538  -0.04255
   D59       -0.06437   0.00007   0.00526   0.00035   0.00559  -0.05878
   D60       -0.01636   0.00005   0.00415  -0.00031   0.00384  -0.01252
   D61        3.09500   0.00003   0.00350   0.00021   0.00388   3.09888
   D62        3.07856   0.00006   0.00411  -0.00003   0.00409   3.08265
   D63        3.13261   0.00002   0.00348   0.00025   0.00373   3.13634
   D64       -0.00374  -0.00000   0.00087   0.00037   0.00121  -0.00253
   D65        0.00611   0.00001   0.00025   0.00047   0.00072   0.00683
   D66       -3.13496   0.00000  -0.00037   0.00036  -0.00002  -3.13498
   D67       -3.10730   0.00002   0.00117   0.00056   0.00172  -3.10557
   D68        0.03482   0.00001   0.00055   0.00044   0.00099   0.03580
   D69        0.00887   0.00001   0.00124   0.00003   0.00127   0.01013
   D70       -3.10675  -0.00000   0.00023   0.00006   0.00029  -3.10645
   D71       -3.13325   0.00002   0.00186   0.00015   0.00200  -3.13125
   D72        0.03432   0.00001   0.00085   0.00018   0.00103   0.03535
   D73       -2.31499   0.00004  -0.00083   0.00093   0.00010  -2.31489
   D74        0.81546   0.00005  -0.00045   0.00121   0.00077   0.81623
   D75        0.82713   0.00003  -0.00146   0.00082  -0.00064   0.82649
   D76       -2.32560   0.00003  -0.00107   0.00110   0.00002  -2.32558
   D77       -0.00960  -0.00002  -0.00106  -0.00032  -0.00138  -0.01097
   D78       -3.13883  -0.00002  -0.00092   0.00020  -0.00072  -3.13954
   D79        3.10612  -0.00001  -0.00006  -0.00035  -0.00041   3.10571
   D80       -0.02312  -0.00001   0.00008   0.00017   0.00026  -0.02286
   D81        0.00778  -0.00003  -0.00122   0.00040  -0.00083   0.00695
   D82       -3.13620  -0.00004  -0.00155   0.00016  -0.00142  -3.13762
   D83       -3.10651  -0.00002  -0.00104  -0.00000  -0.00085  -3.10736
   D84        0.03270  -0.00002  -0.00137  -0.00025  -0.00144   0.03126
   D85       -3.09658  -0.00003  -0.00111   0.00016  -0.00094  -3.09753
   D86        0.04263  -0.00003  -0.00143  -0.00009  -0.00153   0.04109
   D87        0.00386   0.00000  -0.00222  -0.00011  -0.00229   0.00156
   D88       -3.12383   0.00001  -0.00107   0.00006  -0.00101  -3.12484
   D89       -3.13539   0.00001  -0.00190   0.00014  -0.00171  -3.13710
   D90        0.02011   0.00002  -0.00075   0.00031  -0.00043   0.01969
   D91        3.14034  -0.00001   0.00135  -0.00029   0.00106   3.14139
   D92       -0.02390   0.00000   0.00021   0.00096   0.00117  -0.02273
   D93       -0.00369  -0.00001   0.00102  -0.00055   0.00046  -0.00323
   D94        3.11526  -0.00000  -0.00013   0.00071   0.00057   3.11583
   D95       -0.00554   0.00002   0.00230  -0.00027   0.00202  -0.00351
   D96        3.12212   0.00001   0.00115  -0.00044   0.00073   3.12285
   D97       -0.01976  -0.00001   0.00013   0.00007   0.00019  -0.01956
   D98        3.10435  -0.00001  -0.00005  -0.00030  -0.00034   3.10400
   D99        3.13558   0.00000   0.00127   0.00024   0.00147   3.13705
   D100      -0.02350  -0.00000   0.00109  -0.00013   0.00093  -0.02257
   D101      -0.01319  -0.00000  -0.00069   0.00042  -0.00026  -0.01346
   D102       3.10509  -0.00001  -0.00052   0.00003  -0.00048   3.10461
   D103      -3.13130  -0.00001   0.00049  -0.00088  -0.00039  -3.13169
   D104      -0.01301  -0.00001   0.00067  -0.00127  -0.00061  -0.01362
   D105       0.01360   0.00001   0.00008  -0.00004   0.00004   0.01364
   D106       3.13558   0.00001   0.00008   0.00033   0.00041   3.13599
   D107      -3.10490   0.00001  -0.00009   0.00034   0.00025  -3.10465
   D108       0.01708   0.00002  -0.00009   0.00071   0.00062   0.01770
   D109       0.00336  -0.00000   0.00021  -0.00020  -0.00001   0.00335
   D110      -3.12011  -0.00000   0.00039   0.00018   0.00055  -3.11956
   D111      -3.11828  -0.00001   0.00020  -0.00058  -0.00038  -3.11866
   D112       0.04143  -0.00001   0.00039  -0.00020   0.00018   0.04161
   D113      -2.28306  -0.00000  -0.00173   0.00020  -0.00153  -2.28459
   D114       0.85353  -0.00001  -0.00145  -0.00013  -0.00157   0.85196
   D115       0.83868   0.00000  -0.00173   0.00057  -0.00116   0.83752
   D116      -2.30791  -0.00000  -0.00144   0.00025  -0.00120  -2.30911
   D117      -3.13761   0.00000  -0.00035   0.00012  -0.00023  -3.13784
   D118       0.04717   0.00001  -0.00017   0.00009  -0.00009   0.04708
   D119      -0.00118   0.00000  -0.00007   0.00022   0.00016  -0.00103
   D120      -3.09959   0.00001   0.00011   0.00019   0.00029  -3.09930
   D121       3.13512   0.00000   0.00028  -0.00003   0.00024   3.13536
   D122       0.03588   0.00001   0.00037   0.00006   0.00042   0.03630
   D123      -0.00129  -0.00000  -0.00001  -0.00013  -0.00014  -0.00143
   D124      -3.10053   0.00001   0.00008  -0.00004   0.00004  -3.10049
   D125       3.12931   0.00000   0.00028   0.00014   0.00042   3.12973
   D126       0.03861  -0.00000   0.00150  -0.00065   0.00085   0.03946
   D127      -0.00280  -0.00000  -0.00005  -0.00009  -0.00015  -0.00295
   D128      -3.09350  -0.00001   0.00117  -0.00088   0.00028  -3.09322
   D129      -3.13255  -0.00000  -0.00036  -0.00001  -0.00038  -3.13293
   D130       0.06286  -0.00001   0.00027  -0.00054  -0.00027   0.06259
   D131      -0.00048   0.00000  -0.00003   0.00022   0.00019  -0.00029
   D132      -3.08825  -0.00000   0.00061  -0.00030   0.00030  -3.08795
   D133       3.12942  -0.00000  -0.00009   0.00004  -0.00005   3.12936
   D134       0.03499   0.00000   0.00034  -0.00000   0.00034   0.03533
   D135      -0.00790   0.00000  -0.00034   0.00032  -0.00002  -0.00792
   D136      -3.10232   0.00001   0.00009   0.00027   0.00036  -3.10196
   D137      -3.13231   0.00000  -0.00002   0.00011   0.00008  -3.13223
   D138       0.05723   0.00001   0.00080  -0.00005   0.00075   0.05798
   D139       0.00502  -0.00000   0.00022  -0.00016   0.00006   0.00508
   D140      -3.08862   0.00001   0.00105  -0.00032   0.00072  -3.08790
   D141       0.00489   0.00000   0.00011  -0.00007   0.00004   0.00494
   D142      -3.12400   0.00002   0.00048   0.00041   0.00089  -3.12311
   D143       3.10055   0.00001  -0.00099   0.00066  -0.00034   3.10021
   D144      -0.02835   0.00003  -0.00063   0.00114   0.00051  -0.02784
   D145       3.11326  -0.00001  -0.00071  -0.00001  -0.00072   3.11254
   D146      -0.02109  -0.00002  -0.00118  -0.00010  -0.00128  -0.02237
   D147       0.02816  -0.00002   0.00065  -0.00089  -0.00024   0.02792
   D148      -3.10619  -0.00003   0.00017  -0.00098  -0.00080  -3.10699
   D149      -0.00512   0.00000  -0.00013   0.00020   0.00007  -0.00504
   D150       3.11868  -0.00002  -0.00023  -0.00049  -0.00072   3.11796
   D151       3.12134  -0.00002  -0.00056  -0.00037  -0.00094   3.12040
   D152      -0.03805  -0.00004  -0.00066  -0.00106  -0.00173  -0.03978
   D153       0.00847  -0.00002   0.00024  -0.00063  -0.00039   0.00809
   D154      -3.13995  -0.00001  -0.00012  -0.00016  -0.00027  -3.14022
   D155      -3.11646   0.00001   0.00072  -0.00000   0.00072  -3.11574
   D156       0.01830   0.00002   0.00036   0.00047   0.00084   0.01914
   D157       0.00347  -0.00000   0.00010  -0.00026  -0.00017   0.00331
   D158       3.09656   0.00000  -0.00049   0.00023  -0.00027   3.09629
   D159      -3.12320   0.00001   0.00018   0.00032   0.00050  -3.12270
   D160      -0.03011   0.00002  -0.00041   0.00080   0.00039  -0.02971
   D161      -3.11290   0.00001   0.00027   0.00025   0.00052  -3.11238
   D162       0.02018   0.00002   0.00006   0.00060   0.00066   0.02083
   D163       0.00911  -0.00001   0.00016  -0.00051  -0.00035   0.00876
   D164      -3.14100  -0.00001  -0.00005  -0.00016  -0.00021  -3.14121
   D165       3.11100  -0.00001  -0.00030   0.00001  -0.00030   3.11070
   D166      -0.01528  -0.00001  -0.00069   0.00019  -0.00051  -0.01579
   D167       0.02911  -0.00001   0.00041  -0.00058  -0.00017   0.02894
   D168      -3.09717  -0.00002   0.00002  -0.00040  -0.00038  -3.09755
   D169       0.00312  -0.00000   0.00011  -0.00022  -0.00011   0.00301
   D170      -3.12675   0.00001  -0.00028   0.00046   0.00019  -3.12656
   D171       3.10565  -0.00001  -0.00004  -0.00018  -0.00023   3.10542
   D172      -0.02422   0.00001  -0.00043   0.00050   0.00006  -0.02415
   D173       3.11733  -0.00001   0.00013  -0.00029  -0.00015   3.11718
   D174      -0.01444  -0.00001  -0.00018  -0.00020  -0.00037  -0.01481
   D175       0.02369  -0.00000   0.00033  -0.00033   0.00000   0.02369
   D176      -3.10808  -0.00001   0.00002  -0.00024  -0.00022  -3.10830
   D177      -0.00385   0.00000  -0.00011   0.00014   0.00002  -0.00383
   D178       3.12408  -0.00002   0.00037  -0.00059  -0.00022   3.12386
   D179       3.12371  -0.00002   0.00036  -0.00068  -0.00033   3.12338
   D180      -0.03154  -0.00004   0.00084  -0.00141  -0.00057  -0.03212
   D181       0.00740  -0.00001   0.00027  -0.00035  -0.00007   0.00733
   D182      -3.14091  -0.00000   0.00015  -0.00017  -0.00002  -3.14093
   D183      -3.11876   0.00002  -0.00024   0.00056   0.00032  -3.11844
   D184       0.01612   0.00002  -0.00036   0.00073   0.00036   0.01648
   D185       0.00318  -0.00000   0.00007  -0.00000   0.00007   0.00326
   D186       3.10651  -0.00001  -0.00000  -0.00008  -0.00009   3.10642
   D187      -3.12699   0.00002  -0.00032   0.00060   0.00028  -3.12671
   D188      -0.02366   0.00001  -0.00040   0.00052   0.00012  -0.02354
   D189      -3.11906   0.00001  -0.00029   0.00045   0.00017  -3.11889
   D190       0.01619   0.00002  -0.00047   0.00070   0.00023   0.01642
   D191       0.00751  -0.00001   0.00024  -0.00035  -0.00010   0.00740
   D192      -3.14042  -0.00000   0.00006  -0.00010  -0.00004  -3.14046
   D193       3.11705  -0.00001   0.00019  -0.00043  -0.00023   3.11682
   D194      -0.01389  -0.00002  -0.00010  -0.00042  -0.00052  -0.01441
   D195       0.02248  -0.00000   0.00029  -0.00033  -0.00003   0.02245
   D196      -3.10846  -0.00001  -0.00000  -0.00032  -0.00032  -3.10878
   D197       0.00762  -0.00000   0.00033  -0.00034  -0.00001   0.00761
   D198      -3.12217   0.00002  -0.00001   0.00040   0.00038  -3.12179
   D199       3.10665  -0.00001  -0.00007  -0.00029  -0.00036   3.10629
   D200      -0.02314   0.00001  -0.00041   0.00045   0.00004  -0.02311
   D201       3.11013  -0.00001  -0.00017  -0.00018  -0.00034   3.10979
   D202      -0.02128  -0.00001  -0.00050  -0.00004  -0.00054  -0.02182
   D203       0.02093  -0.00001   0.00032  -0.00023   0.00009   0.02102
   D204      -3.11048  -0.00001  -0.00001  -0.00010  -0.00011  -3.11059
   D205      -0.00449   0.00000  -0.00019   0.00024   0.00005  -0.00444
   D206       3.12081  -0.00002  -0.00033  -0.00047  -0.00080   3.12000
   D207       3.12302  -0.00002   0.00022  -0.00064  -0.00042   3.12260
   D208      -0.03487  -0.00004   0.00009  -0.00135  -0.00127  -0.03614
   D209       0.00789  -0.00001   0.00024  -0.00037  -0.00013   0.00776
   D210      -3.14093  -0.00001   0.00004  -0.00018  -0.00014  -3.14107
   D211      -3.11821   0.00001  -0.00021   0.00060   0.00038  -3.11783
   D212       0.01615   0.00002  -0.00041   0.00079   0.00038   0.01653
   D213      -0.00029  -0.00000  -0.00002  -0.00005  -0.00006  -0.00035
   D214       3.09796  -0.00001  -0.00077   0.00011  -0.00066   3.09729
   D215      -3.12824   0.00002   0.00010   0.00055   0.00065  -3.12760
   D216      -0.03000   0.00001  -0.00065   0.00070   0.00005  -0.02995
   D217      -3.11539   0.00002   0.00045   0.00032   0.00077  -3.11462
   D218       0.01879   0.00002   0.00020   0.00063   0.00083   0.01962
   D219       0.00828  -0.00001   0.00029  -0.00046  -0.00016   0.00812
   D220      -3.14072  -0.00000   0.00004  -0.00015  -0.00011  -3.14083
   D221       3.11920  -0.00002  -0.00033  -0.00030  -0.00063   3.11857
   D222      -0.01040  -0.00002  -0.00047  -0.00033  -0.00080  -0.01121
   D223       0.03087  -0.00001   0.00059  -0.00049   0.00010   0.03097
   D224      -3.09874  -0.00001   0.00045  -0.00051  -0.00007  -3.09881
   D225       0.01154   0.00000   0.00006   0.00004   0.00010   0.01164
   D226      -3.13925  -0.00000   0.00021  -0.00017   0.00003  -3.13922
   D227      -3.12152  -0.00001   0.00028  -0.00031  -0.00004  -3.12156
   D228       0.01087  -0.00001   0.00042  -0.00052  -0.00010   0.01077
   D229      -0.01228   0.00001  -0.00005   0.00018   0.00012  -0.01215
   D230       3.12450   0.00000  -0.00048   0.00031  -0.00017   3.12433
   D231       3.13849   0.00001  -0.00020   0.00039   0.00019   3.13868
   D232      -0.00791   0.00001  -0.00062   0.00052  -0.00011  -0.00802
   D233      -0.00805   0.00000  -0.00017   0.00009  -0.00008  -0.00813
   D234       3.11840   0.00000   0.00021  -0.00009   0.00012   3.11852
   D235       3.13833   0.00000   0.00025  -0.00004   0.00021   3.13854
   D236      -0.01840   0.00001   0.00063  -0.00022   0.00042  -0.01799
   D237      -0.00904   0.00000  -0.00030   0.00017  -0.00013  -0.00917
   D238       3.13488   0.00000   0.00013   0.00006   0.00019   3.13506
   D239       3.12540   0.00001   0.00016   0.00026   0.00042   3.12583
   D240      -0.01387   0.00001   0.00060   0.00014   0.00074  -0.01313
   D241      -0.01012   0.00001  -0.00006   0.00031   0.00024  -0.00988
   D242       3.13805   0.00001  -0.00039   0.00054   0.00015   3.13820
   D243       3.12913   0.00001  -0.00050   0.00042  -0.00008   3.12906
   D244      -0.00588   0.00001  -0.00083   0.00066  -0.00017  -0.00604
   D245       0.01025  -0.00000   0.00009  -0.00007   0.00002   0.01027
   D246      -3.12450  -0.00001   0.00045  -0.00054  -0.00009  -3.12459
   D247      -3.13794  -0.00000   0.00042  -0.00030   0.00012  -3.13783
   D248       0.01049  -0.00001   0.00078  -0.00078   0.00000   0.01050
   D249       0.00875   0.00000  -0.00000   0.00000  -0.00000   0.00875
   D250      -3.13908   0.00000   0.00013  -0.00007   0.00006  -3.13902
   D251      -3.12650  -0.00000   0.00018  -0.00025  -0.00006  -3.12656
   D252       0.00886  -0.00000   0.00032  -0.00032  -0.00000   0.00886
   D253      -0.00975   0.00000  -0.00010   0.00019   0.00009  -0.00965
   D254       3.12903  -0.00000  -0.00027   0.00022  -0.00005   3.12898
   D255       3.13807   0.00000  -0.00023   0.00026   0.00003   3.13810
   D256      -0.00634   0.00000  -0.00040   0.00028  -0.00011  -0.00645
   D257      -0.00586  -0.00000  -0.00005  -0.00003  -0.00008  -0.00594
   D258       3.12517   0.00000   0.00025  -0.00004   0.00021   3.12538
   D259       3.13853   0.00000   0.00012  -0.00005   0.00006   3.13859
   D260      -0.01363   0.00000   0.00041  -0.00006   0.00035  -0.01327
   D261      -0.00710  -0.00000  -0.00008   0.00001  -0.00007  -0.00717
   D262       3.13888   0.00000   0.00018  -0.00005   0.00013   3.13901
   D263       3.12475  -0.00000   0.00023  -0.00008   0.00015   3.12490
   D264      -0.01246   0.00000   0.00049  -0.00014   0.00035  -0.01211
   D265      -0.00913   0.00000  -0.00006   0.00013   0.00007  -0.00906
   D266       3.13961   0.00000  -0.00025   0.00027   0.00001   3.13963
   D267       3.12806  -0.00000  -0.00033   0.00019  -0.00013   3.12793
   D268      -0.00638   0.00000  -0.00051   0.00033  -0.00019  -0.00657
   D269       0.00883   0.00000  -0.00004   0.00004   0.00000   0.00883
   D270      -3.12604  -0.00000   0.00009  -0.00013  -0.00004  -3.12609
   D271      -3.13994   0.00000   0.00015  -0.00009   0.00006  -3.13988
   D272       0.00838  -0.00000   0.00028  -0.00026   0.00001   0.00839
   D273       0.01114   0.00000   0.00010   0.00003   0.00013   0.01127
   D274      -3.13950   0.00000   0.00031  -0.00020   0.00011  -3.13939
   D275      -3.12303  -0.00000   0.00035  -0.00028   0.00007  -3.12296
   D276       0.00951  -0.00001   0.00057  -0.00051   0.00006   0.00957
   D277      -0.00991   0.00000  -0.00015   0.00018   0.00003  -0.00988
   D278       3.12569   0.00000  -0.00048   0.00022  -0.00027   3.12542
   D279       3.14071   0.00001  -0.00037   0.00041   0.00004   3.14076
   D280      -0.00688   0.00000  -0.00070   0.00045  -0.00025  -0.00713
   D281      -0.01101  -0.00000  -0.00019   0.00004  -0.00014  -0.01116
   D282       3.11874   0.00000  -0.00005   0.00007   0.00003   3.11877
   D283       3.13654   0.00000   0.00014   0.00001   0.00015   3.13670
   D284      -0.01688   0.00001   0.00028   0.00004   0.00032  -0.01656
   D285      -0.00414  -0.00000  -0.00007  -0.00006  -0.00012  -0.00427
   D286       3.13978   0.00000   0.00011  -0.00006   0.00005   3.13983
   D287       3.12737   0.00000   0.00026  -0.00019   0.00007   3.12744
   D288      -0.01190   0.00000   0.00043  -0.00019   0.00024  -0.01165
   D289      -0.01061   0.00000  -0.00010   0.00012   0.00003  -0.01058
   D290       3.13745   0.00001  -0.00026   0.00034   0.00008   3.13753
   D291       3.12864  -0.00000  -0.00027   0.00012  -0.00014   3.12850
   D292      -0.00648   0.00000  -0.00043   0.00034  -0.00009  -0.00657
   D293       0.00853   0.00000   0.00001   0.00010   0.00010   0.00863
   D294      -3.12581  -0.00000   0.00020  -0.00010   0.00011  -3.12571
   D295      -3.13955  -0.00000   0.00017  -0.00012   0.00005  -3.13950
   D296       0.00929  -0.00000   0.00037  -0.00031   0.00005   0.00935
         Item               Value     Threshold  Converged?
 Maximum Force            0.000492     0.000450     NO 
 RMS     Force            0.000062     0.000300     YES
 Maximum Displacement     0.105565     0.001800     NO 
 RMS     Displacement     0.017021     0.001200     NO 
 Predicted change in Energy=-2.485912D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.035244    2.959014    0.096419
      2          6           0       -2.308309    1.595047    0.020491
      3          6           0       -1.277161    0.638230    0.004498
      4          6           0        0.060222    1.096917    0.039414
      5          6           0        0.326437    2.477927    0.106218
      6          6           0       -0.699491    3.401593    0.143606
      7          6           0       -1.551363   -0.806618   -0.071570
      8          6           0       -0.481440   -1.749276   -0.104007
      9          6           0        0.887030   -1.269648   -0.053668
     10          6           0        1.166468    0.145538    0.009610
     11          6           0       -2.867203   -1.291167   -0.097337
     12          6           0       -3.149014   -2.655483   -0.179644
     13          6           0       -2.086619   -3.575598   -0.230333
     14          6           0       -0.781230   -3.128191   -0.186549
     15          7           0        1.942920   -2.103039   -0.063056
     16          6           0        3.229097   -1.649600   -0.029905
     17          6           0        3.445445   -0.240506    0.024878
     18          7           0        2.403364    0.620099    0.045171
     19          6           0        4.329920   -2.540481   -0.045162
     20          6           0        5.602346   -2.023006   -0.010258
     21          6           0        5.838930   -0.615084    0.024409
     22          6           0        4.769222    0.260178    0.039588
     23          7           0       -3.094613    3.893737    0.127867
     24          7           0       -4.484426   -3.101856   -0.211096
     25          7           0        7.164998   -0.140390    0.066286
     26          6           0       -5.020783   -4.145174    0.567229
     27          6           0       -6.396524   -4.281865    0.261175
     28          6           0       -6.709160   -3.288908   -0.746312
     29          6           0       -5.514144   -2.577344   -1.013960
     30          6           0       -3.213240    5.026242   -0.694267
     31          6           0       -4.405884    5.713203   -0.357920
     32          6           0       -5.034763    4.969852    0.714502
     33          6           0       -4.204641    3.854730    0.988364
     34          6           0        7.672296    0.821977    0.958626
     35          6           0        9.049494    1.012615    0.688150
     36          6           0        9.391028    0.140588   -0.417282
     37          6           0        8.211160   -0.554903   -0.777336
     38          6           0       -7.878430   -2.965468   -1.442605
     39          6           0       -7.841147   -1.952826   -2.396707
     40          6           0       -6.643182   -1.273163   -2.668266
     41          6           0       -5.465091   -1.576573   -1.987963
     42          6           0       -4.409698   -4.931317    1.547460
     43          6           0       -5.193423   -5.884218    2.195603
     44          6           0       -6.553617   -6.047139    1.887845
     45          6           0       -7.161855   -5.245375    0.926694
     46          6           0       -6.203003    5.161518    1.460409
     47          6           0       -6.521727    4.253764    2.465854
     48          6           0       -5.678078    3.164384    2.737598
     49          6           0       -4.509617    2.950487    2.009005
     50          6           0       -2.385721    5.463665   -1.731769
     51          6           0       -2.756567    6.621610   -2.412703
     52          6           0       -3.925308    7.325198   -2.078904
     53          6           0       -4.755543    6.873501   -1.057384
     54          6           0       10.573524   -0.089503   -1.128327
     55          6           0       10.562735   -0.994302   -2.185884
     56          6           0        9.379005   -1.658374   -2.545087
     57          6           0        8.187524   -1.445259   -1.853966
     58          6           0        7.034681    1.491964    2.005422
     59          6           0        7.793997    2.379705    2.765624
     60          6           0        9.155380    2.594738    2.497870
     61          6           0        9.789207    1.910841    1.464736
     62          1           0       -3.345056    1.294264   -0.047328
     63          1           0        1.360265    2.798808    0.144785
     64          1           0       -0.487068    4.461347    0.226837
     65          1           0       -3.702807   -0.609060   -0.025412
     66          1           0       -2.288883   -4.635739   -0.327201
     67          1           0        0.015224   -3.867332   -0.229838
     68          1           0        1.861236   -3.221644   -0.070195
     69          1           0        4.138146   -3.609406   -0.062620
     70          1           0        6.453297   -2.694209    0.013405
     71          1           0        4.910931    1.333812    0.045536
     72          1           0       -8.800707   -3.504026   -1.245501
     73          1           0       -8.742175   -1.690788   -2.942306
     74          1           0       -6.628231   -0.496781   -3.427161
     75          1           0       -4.543112   -1.057823   -2.223604
     76          1           0       -3.364825   -4.808616    1.807245
     77          1           0       -4.737667   -6.510385    2.956465
     78          1           0       -7.134928   -6.801048    2.409299
     79          1           0       -8.217645   -5.360348    0.699495
     80          1           0       -6.848615    6.011582    1.259946
     81          1           0       -7.426391    4.389997    3.049981
     82          1           0       -5.936836    2.472868    3.533716
     83          1           0       -3.859214    2.114133    2.238617
     84          1           0       -1.489175    4.920932   -2.009067
     85          1           0       -2.127689    6.982133   -3.221169
     86          1           0       -4.184734    8.224933   -2.627923
     87          1           0       -5.666645    7.410120   -0.809343
     88          1           0       11.485367    0.436810   -0.861876
     89          1           0       11.474052   -1.183368   -2.744354
     90          1           0        9.385657   -2.349513   -3.382353
     91          1           0        7.277129   -1.949781   -2.156904
     92          1           0        5.987873    1.326139    2.231806
     93          1           0        7.318693    2.912865    3.583410
     94          1           0        9.717556    3.295891    3.106579
     95          1           0       10.845717    2.066071    1.266878
     96         17           0        2.044352   -5.022037   -0.046669
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463040           0.0189170           0.0145395
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.0676608000 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000754   -0.000019   -0.000114 Ang=  -0.09 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58793370     A.U. after   11 cycles
            NFock= 11  Conv=0.75D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000168191    0.000056471    0.000004493
      2        6          -0.000006545    0.000026102   -0.000020293
      3        6          -0.000026713   -0.000137428   -0.000007958
      4        6           0.000119744   -0.000001498    0.000038074
      5        6          -0.000019290   -0.000022674   -0.000038935
      6        6           0.000046469    0.000026033    0.000001039
      7        6          -0.000162822    0.000168451    0.000041235
      8        6           0.000233012   -0.000024836   -0.000058422
      9        6          -0.000204158   -0.000247444   -0.000047338
     10        6           0.000029359    0.000233930   -0.000026674
     11        6           0.000008161   -0.000019881    0.000060057
     12        6           0.000078043    0.000021476   -0.000007409
     13        6          -0.000019634   -0.000011304   -0.000034523
     14        6          -0.000073534    0.000058869   -0.000001633
     15        7           0.000169074   -0.000228293    0.000095290
     16        6          -0.000188004   -0.000023991   -0.000020059
     17        6          -0.000046812   -0.000012924   -0.000020372
     18        7          -0.000056129   -0.000024249    0.000049713
     19        6           0.000240510   -0.000001901    0.000034252
     20        6          -0.000072297   -0.000160058   -0.000022962
     21        6           0.000010434    0.000154406    0.000022434
     22        6           0.000045947   -0.000013697   -0.000012524
     23        7           0.000110948   -0.000046838   -0.000001065
     24        7          -0.000202786   -0.000032594   -0.000049865
     25        7          -0.000058582   -0.000010886   -0.000010443
     26        6           0.000037667    0.000123161    0.000041358
     27        6          -0.000011407   -0.000077673   -0.000077113
     28        6          -0.000101423    0.000010699    0.000059620
     29        6           0.000221153   -0.000042908    0.000035289
     30        6           0.000050326   -0.000005422    0.000044859
     31        6           0.000016766    0.000115092    0.000060826
     32        6          -0.000081122   -0.000073645   -0.000062040
     33        6           0.000018560   -0.000043031   -0.000039450
     34        6          -0.000022102   -0.000020878   -0.000008156
     35        6          -0.000018509    0.000116010   -0.000042151
     36        6           0.000085913   -0.000076071    0.000051510
     37        6          -0.000032494   -0.000018310    0.000001884
     38        6           0.000014003    0.000009456   -0.000077108
     39        6          -0.000040120   -0.000038089    0.000034439
     40        6           0.000045631    0.000005001    0.000001714
     41        6          -0.000033857    0.000034680   -0.000018110
     42        6           0.000012438   -0.000035733    0.000019796
     43        6           0.000031042    0.000039559    0.000003356
     44        6          -0.000051642   -0.000017990   -0.000049093
     45        6           0.000004870   -0.000002888    0.000086335
     46        6           0.000011894    0.000007052    0.000074215
     47        6          -0.000030136    0.000031893   -0.000025494
     48        6           0.000020277   -0.000000779    0.000004817
     49        6           0.000003299   -0.000003194    0.000023162
     50        6           0.000005371    0.000006331   -0.000027003
     51        6           0.000011148   -0.000019610   -0.000003597
     52        6          -0.000042546    0.000009200    0.000025956
     53        6          -0.000002557   -0.000016124   -0.000072294
     54        6          -0.000013414    0.000017210   -0.000072407
     55        6           0.000031355    0.000025929    0.000033944
     56        6          -0.000029874   -0.000001753   -0.000001223
     57        6           0.000010055   -0.000007103   -0.000036148
     58        6          -0.000012044    0.000005013    0.000017168
     59        6          -0.000007529   -0.000019171    0.000000377
     60        6           0.000034112    0.000013108   -0.000020943
     61        6           0.000002204   -0.000027827    0.000063922
     62        1           0.000028214   -0.000002241   -0.000006515
     63        1          -0.000000098    0.000002723    0.000007864
     64        1          -0.000001781   -0.000001435   -0.000012290
     65        1           0.000001161   -0.000017122    0.000019481
     66        1          -0.000005129   -0.000000328   -0.000000353
     67        1          -0.000054446   -0.000027210    0.000001160
     68        1           0.000092330    0.000298638   -0.000009230
     69        1          -0.000025590    0.000006537    0.000007489
     70        1           0.000004206    0.000018046    0.000020341
     71        1           0.000008721    0.000006827    0.000002536
     72        1           0.000000375   -0.000000905    0.000018559
     73        1           0.000010439   -0.000000862   -0.000012986
     74        1          -0.000002337    0.000006072    0.000005180
     75        1           0.000006932    0.000005127    0.000011920
     76        1           0.000006262   -0.000006422   -0.000017806
     77        1           0.000002614   -0.000005930   -0.000005197
     78        1           0.000001388    0.000011285    0.000018272
     79        1           0.000002164   -0.000000025   -0.000020083
     80        1           0.000002715    0.000001610   -0.000019095
     81        1           0.000009612   -0.000004031    0.000009449
     82        1          -0.000000148   -0.000003907   -0.000003598
     83        1          -0.000005077   -0.000002290   -0.000002907
     84        1          -0.000002067    0.000005987    0.000000630
     85        1           0.000003699    0.000002336    0.000003607
     86        1           0.000007866   -0.000005370   -0.000009256
     87        1           0.000000522   -0.000003456    0.000018454
     88        1          -0.000001699   -0.000002945    0.000018430
     89        1          -0.000009163    0.000001488   -0.000011997
     90        1           0.000001163   -0.000005151    0.000003154
     91        1           0.000006911   -0.000006334    0.000009393
     92        1          -0.000007018   -0.000001014   -0.000006320
     93        1          -0.000004484    0.000001813   -0.000004116
     94        1          -0.000004315   -0.000007515    0.000008029
     95        1          -0.000000176    0.000000328   -0.000017028
     96       17           0.000002728   -0.000010759   -0.000043502
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000298638 RMS     0.000060065

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000244935 RMS     0.000033121
 Search for a local minimum.
 Step number  21 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21
 DE= -1.27D-05 DEPred=-2.49D-06 R= 5.09D+00
 TightC=F SS=  1.41D+00  RLast= 4.07D-02 DXNew= 5.0454D+00 1.2214D-01
 Trust test= 5.09D+00 RLast= 4.07D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1
 ITU=  0
     Eigenvalues ---    0.00174   0.00828   0.01309   0.01939   0.02311
     Eigenvalues ---    0.02710   0.02725   0.02733   0.02741   0.02745
     Eigenvalues ---    0.02751   0.02755   0.02768   0.02768   0.02778
     Eigenvalues ---    0.02788   0.02790   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02795   0.02800   0.02812   0.02816   0.02817
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02822   0.02826
     Eigenvalues ---    0.02832   0.02834   0.02839   0.02843   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02848
     Eigenvalues ---    0.02856   0.02856   0.02858   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02876   0.02876   0.02876   0.02877
     Eigenvalues ---    0.02878   0.02881   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02886   0.02890   0.02893   0.02896   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02901   0.02903   0.02903
     Eigenvalues ---    0.02909   0.02910   0.02926   0.02942   0.02943
     Eigenvalues ---    0.02946   0.02975   0.03023   0.03027   0.03082
     Eigenvalues ---    0.03126   0.03127   0.03135   0.03142   0.03151
     Eigenvalues ---    0.03194   0.03307   0.03544   0.05663   0.11419
     Eigenvalues ---    0.15088   0.15819   0.15938   0.15975   0.15995
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16006   0.16029
     Eigenvalues ---    0.16054   0.16077   0.16180   0.17372   0.20380
     Eigenvalues ---    0.21915   0.21999   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22361   0.22440   0.22496   0.22582
     Eigenvalues ---    0.22601   0.22602   0.22604   0.22606   0.22644
     Eigenvalues ---    0.22891   0.23512   0.23518   0.23881   0.24168
     Eigenvalues ---    0.24474   0.24477   0.24482   0.24512   0.24520
     Eigenvalues ---    0.24622   0.24691   0.24766   0.24925   0.24966
     Eigenvalues ---    0.24969   0.24971   0.24975   0.24979   0.24993
     Eigenvalues ---    0.24999   0.25001   0.25009   0.25018   0.25037
     Eigenvalues ---    0.25150   0.25313   0.25628   0.30388   0.32994
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33315   0.33360   0.33389   0.33393
     Eigenvalues ---    0.33395   0.33397   0.33399   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33681
     Eigenvalues ---    0.33846   0.33862   0.33881   0.33890   0.33900
     Eigenvalues ---    0.33907   0.33936   0.33960   0.34031   0.34338
     Eigenvalues ---    0.34778   0.35266   0.35963   0.44450   0.44473
     Eigenvalues ---    0.44612   0.45204   0.47805   0.48265   0.48606
     Eigenvalues ---    0.48946   0.48960   0.49615   0.49739   0.50213
     Eigenvalues ---    0.50333   0.50366   0.50396   0.50595   0.50612
     Eigenvalues ---    0.50676   0.51645   0.52800   0.52865   0.53555
     Eigenvalues ---    0.54069   0.54101   0.54192   0.54197   0.54207
     Eigenvalues ---    0.54219   0.54819   0.55006   0.55190   0.55370
     Eigenvalues ---    0.55507   0.55659   0.55739   0.55873   0.55905
     Eigenvalues ---    0.55939   0.56112   0.56127   0.56147   0.56224
     Eigenvalues ---    0.56364   0.56474   0.56664   0.56664   0.56665
     Eigenvalues ---    0.56678   0.56692   0.56696   0.56754   0.56857
     Eigenvalues ---    0.56908   0.56915   0.57089   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57180   0.59996   0.61633
     Eigenvalues ---    0.62675   0.65982   0.66042   0.67307   0.67661
     Eigenvalues ---    0.67703   0.68495   0.68692   0.69923   0.70046
     Eigenvalues ---    0.74198   0.76151
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    21   20   19   18   17   16   15   14   13   12
 RFO step:  Lambda=-1.09582532D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.56561   -0.43307   -0.17514    0.30249   -0.17830
                  RFO-DIIS coefs:   -0.18041    0.30354   -0.20470    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.01571754 RMS(Int)=  0.00011274
 Iteration  2 RMS(Cart)=  0.00015594 RMS(Int)=  0.00003847
 Iteration  3 RMS(Cart)=  0.00000005 RMS(Int)=  0.00003847
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63258   0.00002   0.00007  -0.00003   0.00004   2.63263
    R2        2.66065   0.00003   0.00035  -0.00017   0.00018   2.66083
    R3        2.67044  -0.00012  -0.00037   0.00003  -0.00035   2.67010
    R4        2.65842   0.00002   0.00012  -0.00003   0.00009   2.65851
    R5        2.04398  -0.00002   0.00001  -0.00008  -0.00007   2.04391
    R6        2.67261   0.00000   0.00006  -0.00018  -0.00013   2.67248
    R7        2.78282  -0.00010   0.00001  -0.00025  -0.00025   2.78257
    R8        2.66077  -0.00001   0.00008  -0.00004   0.00004   2.66081
    R9        2.75783  -0.00010   0.00018  -0.00032  -0.00014   2.75769
   R10        2.60966  -0.00000  -0.00003  -0.00001  -0.00004   2.60962
   R11        2.04689   0.00000  -0.00001  -0.00001  -0.00002   2.04687
   R12        2.04853  -0.00000  -0.00001  -0.00001  -0.00002   2.04851
   R13        2.69535   0.00021   0.00023   0.00032   0.00055   2.69591
   R14        2.65026  -0.00000  -0.00004  -0.00004  -0.00008   2.65018
   R15        2.74192   0.00004  -0.00047   0.00036  -0.00010   2.74182
   R16        2.67120   0.00002   0.00018   0.00001   0.00019   2.67139
   R17        2.72857   0.00022   0.00041   0.00024   0.00064   2.72921
   R18        2.54204   0.00024   0.00028   0.00039   0.00074   2.54277
   R19        2.50443  -0.00011   0.00006  -0.00022  -0.00023   2.50420
   R20        2.63720  -0.00004   0.00031  -0.00029   0.00003   2.63723
   R21        2.04290  -0.00001   0.00003  -0.00004  -0.00001   2.04289
   R22        2.65765  -0.00005   0.00017  -0.00026  -0.00009   2.65756
   R23        2.66147   0.00005  -0.00042   0.00025  -0.00017   2.66130
   R24        2.60901   0.00001   0.00001   0.00001   0.00002   2.60903
   R25        2.04771   0.00000   0.00004  -0.00002   0.00002   2.04773
   R26        2.05498  -0.00003   0.00043  -0.00008   0.00035   2.05533
   R27        2.57791  -0.00004   0.00003   0.00002   0.00013   2.57803
   R28        2.11953  -0.00021  -0.00612  -0.00064  -0.00669   2.11284
   R29        5.51952  -0.00006   0.00425   0.00107   0.00524   5.52477
   R30        2.69599  -0.00000  -0.00013  -0.00005  -0.00016   2.69583
   R31        2.67629   0.00016   0.00025   0.00003   0.00029   2.67658
   R32        2.55427  -0.00007  -0.00000  -0.00014  -0.00021   2.55405
   R33        2.67467   0.00002  -0.00006   0.00002  -0.00004   2.67463
   R34        2.59661  -0.00008   0.00004  -0.00016  -0.00012   2.59650
   R35        2.05249  -0.00001   0.00012   0.00002   0.00014   2.05263
   R36        2.69868   0.00010   0.00019   0.00005   0.00023   2.69892
   R37        2.04858  -0.00000   0.00002  -0.00002  -0.00000   2.04858
   R38        2.61206  -0.00006   0.00030  -0.00030  -0.00001   2.61205
   R39        2.66280  -0.00006  -0.00052   0.00015  -0.00037   2.66243
   R40        2.04650   0.00001  -0.00000   0.00001   0.00001   2.04651
   R41        2.65407   0.00000  -0.00000  -0.00000  -0.00000   2.65407
   R42        2.65514   0.00001  -0.00003   0.00003  -0.00001   2.65514
   R43        2.66041  -0.00005   0.00004  -0.00010  -0.00006   2.66035
   R44        2.65910  -0.00015  -0.00005  -0.00018  -0.00023   2.65887
   R45        2.65893  -0.00001   0.00008  -0.00006   0.00002   2.65895
   R46        2.65772   0.00002   0.00011  -0.00002   0.00009   2.65781
   R47        2.67583   0.00005   0.00016  -0.00003   0.00013   2.67595
   R48        2.64041   0.00001   0.00015  -0.00010   0.00005   2.64046
   R49        2.73765   0.00002  -0.00000   0.00004   0.00003   2.73768
   R50        2.64359   0.00002   0.00009  -0.00003   0.00005   2.64365
   R51        2.67650   0.00007   0.00011  -0.00000   0.00011   2.67660
   R52        2.64334   0.00001   0.00009  -0.00005   0.00004   2.64338
   R53        2.64064   0.00002   0.00013  -0.00008   0.00005   2.64069
   R54        2.67745   0.00004   0.00016  -0.00007   0.00009   2.67753
   R55        2.64058   0.00002   0.00019  -0.00011   0.00008   2.64066
   R56        2.73727   0.00004  -0.00004   0.00006   0.00002   2.73729
   R57        2.64413   0.00001   0.00010  -0.00006   0.00004   2.64417
   R58        2.67755   0.00003   0.00013  -0.00005   0.00008   2.67763
   R59        2.64420   0.00001   0.00009  -0.00005   0.00004   2.64424
   R60        2.64046   0.00001   0.00012  -0.00006   0.00006   2.64052
   R61        2.67660   0.00003   0.00012  -0.00006   0.00006   2.67666
   R62        2.63968   0.00001   0.00014  -0.00010   0.00004   2.63973
   R63        2.73786   0.00004  -0.00002   0.00007   0.00005   2.73791
   R64        2.64364   0.00000   0.00007  -0.00006   0.00001   2.64365
   R65        2.67611   0.00004   0.00011  -0.00005   0.00006   2.67617
   R66        2.64347   0.00001   0.00008  -0.00005   0.00003   2.64350
   R67        2.64050   0.00002   0.00016  -0.00009   0.00007   2.64057
   R68        2.63015  -0.00002   0.00002  -0.00006  -0.00004   2.63010
   R69        2.05232   0.00000  -0.00001   0.00001   0.00000   2.05233
   R70        2.65290   0.00004   0.00017  -0.00005   0.00011   2.65301
   R71        2.05120  -0.00000  -0.00002   0.00000  -0.00001   2.05118
   R72        2.63396  -0.00002  -0.00003  -0.00003  -0.00006   2.63390
   R73        2.05182   0.00000  -0.00001   0.00000  -0.00001   2.05181
   R74        2.04813   0.00001   0.00001   0.00001   0.00002   2.04815
   R75        2.63367  -0.00002  -0.00003  -0.00002  -0.00005   2.63362
   R76        2.04781  -0.00000  -0.00002  -0.00000  -0.00002   2.04778
   R77        2.65329   0.00004   0.00014  -0.00005   0.00009   2.65338
   R78        2.05165   0.00000  -0.00000   0.00000  -0.00000   2.05165
   R79        2.62977  -0.00003   0.00001  -0.00006  -0.00005   2.62972
   R80        2.05122  -0.00000  -0.00002   0.00001  -0.00001   2.05121
   R81        2.05236   0.00000  -0.00001   0.00001  -0.00000   2.05236
   R82        2.62972  -0.00002   0.00002  -0.00007  -0.00004   2.62968
   R83        2.05243   0.00000  -0.00002   0.00002   0.00000   2.05243
   R84        2.65393   0.00002   0.00017  -0.00010   0.00008   2.65401
   R85        2.05118  -0.00000  -0.00002   0.00000  -0.00001   2.05117
   R86        2.63337  -0.00000  -0.00002  -0.00000  -0.00002   2.63335
   R87        2.05186   0.00000   0.00000  -0.00001  -0.00001   2.05185
   R88        2.04862  -0.00000   0.00001  -0.00003  -0.00002   2.04860
   R89        2.63346  -0.00000  -0.00002  -0.00001  -0.00003   2.63344
   R90        2.04863  -0.00000  -0.00005   0.00002  -0.00003   2.04861
   R91        2.65398   0.00002   0.00015  -0.00008   0.00008   2.65406
   R92        2.05197   0.00000  -0.00000  -0.00001  -0.00001   2.05196
   R93        2.62993  -0.00002   0.00001  -0.00006  -0.00005   2.62988
   R94        2.05124  -0.00000  -0.00002   0.00001  -0.00001   2.05123
   R95        2.05241   0.00000  -0.00001   0.00001   0.00000   2.05241
   R96        2.63019  -0.00002   0.00003  -0.00006  -0.00004   2.63015
   R97        2.05230   0.00000  -0.00001   0.00001  -0.00000   2.05230
   R98        2.65319   0.00003   0.00014  -0.00006   0.00008   2.65327
   R99        2.05114  -0.00000  -0.00002   0.00001  -0.00001   2.05113
   R100       2.63391  -0.00001  -0.00001  -0.00002  -0.00003   2.63388
   R101       2.05166   0.00000  -0.00001  -0.00000  -0.00001   2.05165
   R102       2.04853  -0.00000  -0.00003   0.00002  -0.00001   2.04852
   R103       2.63382  -0.00001   0.00002  -0.00003  -0.00001   2.63381
   R104       2.04802   0.00001  -0.00004   0.00005   0.00001   2.04804
   R105       2.65323   0.00003   0.00013  -0.00007   0.00007   2.65330
   R106       2.05185   0.00000  -0.00000  -0.00001  -0.00001   2.05184
   R107       2.62992  -0.00001   0.00004  -0.00005  -0.00002   2.62991
   R108       2.05119  -0.00000  -0.00002   0.00001  -0.00001   2.05118
   R109       2.05230   0.00000  -0.00001   0.00001  -0.00000   2.05230
   R110       3.42009   0.00007   0.01034   0.00143   0.01184   3.43193
    A1        2.08927  -0.00003  -0.00022   0.00001  -0.00021   2.08906
    A2        2.09658   0.00002   0.00005   0.00010   0.00015   2.09673
    A3        2.09734   0.00000   0.00017  -0.00011   0.00006   2.09740
    A4        2.12101   0.00002   0.00005   0.00008   0.00013   2.12114
    A5        2.05281   0.00000   0.00011  -0.00003   0.00008   2.05289
    A6        2.10915  -0.00003  -0.00017  -0.00004  -0.00022   2.10893
    A7        2.06265  -0.00002   0.00008  -0.00009  -0.00000   2.06265
    A8        2.13109   0.00001  -0.00007   0.00015   0.00009   2.13118
    A9        2.08928   0.00000  -0.00000  -0.00006  -0.00008   2.08920
   A10        2.09216  -0.00000  -0.00006   0.00001  -0.00005   2.09211
   A11        2.10003   0.00002   0.00007  -0.00002   0.00003   2.10006
   A12        2.09099  -0.00002   0.00000   0.00001   0.00002   2.09101
   A13        2.11396   0.00003  -0.00001   0.00008   0.00007   2.11402
   A14        2.06316  -0.00001   0.00021  -0.00015   0.00006   2.06322
   A15        2.10593  -0.00002  -0.00019   0.00007  -0.00012   2.10581
   A16        2.08708  -0.00000   0.00016  -0.00010   0.00005   2.08713
   A17        2.08953   0.00000   0.00021  -0.00018   0.00003   2.08956
   A18        2.10641   0.00000  -0.00036   0.00029  -0.00007   2.10634
   A19        2.10592   0.00004   0.00013   0.00019   0.00030   2.10621
   A20        2.11138  -0.00004   0.00010  -0.00045  -0.00034   2.11104
   A21        2.06581   0.00001  -0.00024   0.00027   0.00003   2.06583
   A22        2.08085  -0.00003  -0.00013  -0.00004  -0.00017   2.08068
   A23        2.07939  -0.00011   0.00017  -0.00055  -0.00039   2.07900
   A24        2.12294   0.00014  -0.00003   0.00059   0.00056   2.12350
   A25        2.10370  -0.00009   0.00039  -0.00051  -0.00020   2.10349
   A26        2.13563   0.00024   0.00023   0.00102   0.00117   2.13680
   A27        2.04385  -0.00015  -0.00062  -0.00051  -0.00096   2.04289
   A28        2.08649   0.00006  -0.00024   0.00045   0.00021   2.08669
   A29        2.06404  -0.00012   0.00025  -0.00083  -0.00058   2.06345
   A30        2.13265   0.00006  -0.00001   0.00038   0.00038   2.13304
   A31        2.12741   0.00003   0.00028  -0.00004   0.00023   2.12765
   A32        2.10133  -0.00000  -0.00023   0.00017  -0.00006   2.10127
   A33        2.05407  -0.00003  -0.00006  -0.00014  -0.00019   2.05388
   A34        2.08196   0.00001  -0.00023   0.00004  -0.00019   2.08177
   A35        2.09744  -0.00002  -0.00012  -0.00002  -0.00013   2.09731
   A36        2.10379   0.00001   0.00035  -0.00002   0.00032   2.10411
   A37        2.09566   0.00001   0.00012  -0.00001   0.00011   2.09576
   A38        2.09705  -0.00001   0.00040  -0.00025   0.00014   2.09720
   A39        2.09020   0.00000  -0.00052   0.00028  -0.00024   2.08996
   A40        2.11589   0.00006  -0.00007   0.00029   0.00021   2.11610
   A41        2.10603   0.00002  -0.00006   0.00042   0.00036   2.10639
   A42        2.06118  -0.00008   0.00012  -0.00071  -0.00059   2.06059
   A43        2.13408   0.00001   0.00077   0.00013   0.00055   2.13463
   A44        2.16609   0.00015  -0.00043   0.00112   0.00048   2.16657
   A45        2.27361  -0.00002   0.00115   0.00039   0.00104   2.27465
   A46        1.98266  -0.00016   0.00072  -0.00125  -0.00076   1.98190
   A47        1.87476   0.00001  -0.00007  -0.00051  -0.00106   1.87370
   A48        2.06259   0.00003  -0.00032   0.00005  -0.00012   2.06248
   A49        2.12175   0.00001  -0.00005   0.00020   0.00004   2.12178
   A50        2.09884  -0.00004   0.00037  -0.00024   0.00008   2.09892
   A51        2.10892   0.00002  -0.00003   0.00000  -0.00001   2.10891
   A52        2.08475   0.00002  -0.00022   0.00023   0.00003   2.08478
   A53        2.08942  -0.00004   0.00023  -0.00023  -0.00004   2.08938
   A54        2.08421   0.00002   0.00034  -0.00006   0.00021   2.08441
   A55        2.07444   0.00001  -0.00029   0.00008  -0.00018   2.07426
   A56        2.07375  -0.00003  -0.00034  -0.00007  -0.00042   2.07333
   A57        2.13477   0.00002   0.00065  -0.00002   0.00062   2.13539
   A58        2.12388   0.00000   0.00014   0.00001   0.00015   2.12403
   A59        2.08780   0.00002  -0.00025   0.00020  -0.00005   2.08775
   A60        2.07127  -0.00002   0.00011  -0.00021  -0.00010   2.07117
   A61        2.09017  -0.00000  -0.00017   0.00004  -0.00013   2.09004
   A62        2.08145   0.00001   0.00008   0.00003   0.00012   2.08157
   A63        2.11140  -0.00001   0.00009  -0.00008   0.00002   2.11141
   A64        2.09405   0.00002   0.00017  -0.00012   0.00006   2.09411
   A65        2.06365   0.00000  -0.00002   0.00008   0.00006   2.06371
   A66        2.12534  -0.00002  -0.00016   0.00004  -0.00012   2.12522
   A67        2.19402   0.00000   0.00006  -0.00004   0.00002   2.19405
   A68        2.19879  -0.00001  -0.00012   0.00009  -0.00003   2.19876
   A69        1.89036   0.00000   0.00006  -0.00005   0.00000   1.89037
   A70        2.19416  -0.00001   0.00015  -0.00002   0.00013   2.19430
   A71        2.19996  -0.00003  -0.00020  -0.00000  -0.00021   2.19975
   A72        1.88903   0.00004   0.00005   0.00002   0.00007   1.88909
   A73        2.20007  -0.00002   0.00004  -0.00006  -0.00002   2.20005
   A74        2.19310   0.00001  -0.00004   0.00006   0.00002   2.19312
   A75        1.89000   0.00001   0.00000   0.00000   0.00000   1.89001
   A76        1.89885  -0.00000  -0.00006   0.00004  -0.00003   1.89882
   A77        2.26294   0.00001   0.00023  -0.00013   0.00010   2.26304
   A78        2.12027  -0.00001  -0.00018   0.00011  -0.00006   2.12021
   A79        1.86902  -0.00003   0.00002  -0.00005  -0.00003   1.86899
   A80        2.08886  -0.00000   0.00010  -0.00009   0.00001   2.08886
   A81        2.32521   0.00003  -0.00013   0.00014   0.00001   2.32522
   A82        1.86888  -0.00003  -0.00003  -0.00004  -0.00006   1.86881
   A83        2.32548   0.00003  -0.00004   0.00011   0.00007   2.32554
   A84        2.08869  -0.00000   0.00006  -0.00007  -0.00001   2.08868
   A85        1.89900   0.00002   0.00001   0.00003   0.00005   1.89905
   A86        2.26396  -0.00001   0.00005  -0.00010  -0.00005   2.26391
   A87        2.11899  -0.00001  -0.00006   0.00007   0.00001   2.11900
   A88        1.89980   0.00001  -0.00004   0.00005   0.00001   1.89982
   A89        2.26144   0.00001   0.00024  -0.00014   0.00009   2.26153
   A90        2.12114  -0.00002  -0.00020   0.00008  -0.00012   2.12102
   A91        1.86753  -0.00001  -0.00000  -0.00002  -0.00002   1.86750
   A92        2.08719   0.00001   0.00014  -0.00006   0.00008   2.08726
   A93        2.32839   0.00000  -0.00014   0.00008  -0.00006   2.32833
   A94        1.86777  -0.00001   0.00001  -0.00002  -0.00001   1.86776
   A95        2.32795   0.00000  -0.00012   0.00006  -0.00006   2.32790
   A96        2.08739   0.00001   0.00011  -0.00005   0.00006   2.08744
   A97        1.89931   0.00001  -0.00002   0.00003   0.00001   1.89932
   A98        2.26238   0.00001   0.00016  -0.00008   0.00008   2.26246
   A99        2.12072  -0.00001  -0.00014   0.00004  -0.00010   2.12062
   A100       1.89813   0.00001  -0.00002   0.00003   0.00001   1.89814
   A101       2.26366  -0.00001   0.00018  -0.00016   0.00001   2.26367
   A102       2.12044   0.00000  -0.00016   0.00013  -0.00003   2.12040
   A103       1.86910  -0.00001   0.00003  -0.00003  -0.00001   1.86910
   A104       2.08810  -0.00000   0.00011  -0.00009   0.00003   2.08813
   A105       2.32590   0.00001  -0.00014   0.00012  -0.00003   2.32587
   A106       1.86836  -0.00001   0.00001  -0.00000   0.00001   1.86837
   A107       2.32691   0.00000  -0.00014   0.00007  -0.00007   2.32684
   A108       2.08780   0.00000   0.00012  -0.00007   0.00005   2.08785
   A109       1.89916  -0.00000  -0.00002  -0.00000  -0.00002   1.89914
   A110       2.26192   0.00001   0.00015  -0.00008   0.00007   2.26199
   A111       2.12109  -0.00001  -0.00015   0.00009  -0.00006   2.12103
   A112       2.07953   0.00000  -0.00001   0.00002   0.00001   2.07954
   A113       2.10001  -0.00002   0.00001  -0.00008  -0.00007   2.09995
   A114       2.10360   0.00001  -0.00000   0.00006   0.00006   2.10367
   A115       2.10332   0.00000  -0.00003   0.00003  -0.00001   2.10331
   A116       2.09206   0.00001  -0.00001   0.00006   0.00005   2.09211
   A117       2.08777  -0.00001   0.00004  -0.00008  -0.00005   2.08772
   A118       2.11935   0.00001   0.00005  -0.00001   0.00004   2.11939
   A119       2.08649  -0.00001   0.00001  -0.00002  -0.00002   2.08647
   A120       2.07733  -0.00001  -0.00006   0.00004  -0.00002   2.07732
   A121       2.05605  -0.00000   0.00001  -0.00003  -0.00002   2.05603
   A122       2.12256  -0.00001   0.00012  -0.00015  -0.00003   2.12253
   A123       2.10447   0.00001  -0.00012   0.00018   0.00005   2.10452
   A124       2.05444  -0.00000   0.00010  -0.00005   0.00004   2.05449
   A125       2.12489  -0.00000   0.00005  -0.00011  -0.00006   2.12483
   A126       2.10383   0.00001  -0.00014   0.00016   0.00002   2.10385
   A127       2.12020   0.00001   0.00004  -0.00001   0.00003   2.12022
   A128       2.07624  -0.00000  -0.00001   0.00004   0.00003   2.07627
   A129       2.08675  -0.00001  -0.00003  -0.00002  -0.00006   2.08669
   A130       2.10361   0.00000  -0.00006   0.00003  -0.00003   2.10357
   A131       2.08760  -0.00001   0.00005  -0.00009  -0.00004   2.08756
   A132       2.09196   0.00001   0.00001   0.00006   0.00007   2.09203
   A133       2.07862   0.00000   0.00001   0.00002   0.00003   2.07865
   A134       2.10044  -0.00001  -0.00001  -0.00007  -0.00009   2.10035
   A135       2.10411   0.00001   0.00000   0.00005   0.00005   2.10416
   A136       2.07948   0.00000  -0.00001   0.00003   0.00002   2.07950
   A137       2.10031  -0.00002  -0.00005  -0.00006  -0.00011   2.10020
   A138       2.10338   0.00001   0.00005   0.00004   0.00009   2.10347
   A139       2.10390  -0.00000  -0.00008   0.00003  -0.00005   2.10385
   A140       2.09190   0.00001   0.00005   0.00005   0.00010   2.09200
   A141       2.08736  -0.00001   0.00003  -0.00008  -0.00005   2.08732
   A142       2.11952   0.00001   0.00008  -0.00004   0.00004   2.11956
   A143       2.08602  -0.00000   0.00002  -0.00004  -0.00002   2.08601
   A144       2.07764  -0.00001  -0.00010   0.00007  -0.00003   2.07761
   A145       2.05510  -0.00000   0.00004  -0.00000   0.00004   2.05514
   A146       2.12120   0.00000   0.00015  -0.00009   0.00005   2.12125
   A147       2.10684  -0.00000  -0.00018   0.00010  -0.00009   2.10675
   A148       2.05479  -0.00000   0.00006  -0.00003   0.00003   2.05482
   A149       2.12112   0.00000   0.00017  -0.00010   0.00007   2.12119
   A150       2.10724  -0.00000  -0.00024   0.00013  -0.00010   2.10713
   A151       2.11951   0.00001   0.00009  -0.00003   0.00006   2.11957
   A152       2.07780  -0.00001  -0.00008   0.00004  -0.00004   2.07777
   A153       2.08586  -0.00000  -0.00001  -0.00001  -0.00002   2.08584
   A154       2.10401  -0.00001  -0.00008   0.00003  -0.00005   2.10396
   A155       2.08740  -0.00001   0.00004  -0.00008  -0.00004   2.08736
   A156       2.09175   0.00001   0.00004   0.00006   0.00009   2.09184
   A157       2.07944   0.00000  -0.00000   0.00001   0.00001   2.07946
   A158       2.10039  -0.00002  -0.00001  -0.00008  -0.00009   2.10030
   A159       2.10333   0.00001   0.00001   0.00007   0.00008   2.10341
   A160       2.07899   0.00000  -0.00002   0.00002  -0.00000   2.07899
   A161       2.10055  -0.00002   0.00001  -0.00008  -0.00008   2.10048
   A162       2.10362   0.00001   0.00002   0.00006   0.00008   2.10370
   A163       2.10413  -0.00000  -0.00006   0.00003  -0.00004   2.10409
   A164       2.09171   0.00001   0.00002   0.00005   0.00007   2.09178
   A165       2.08731  -0.00001   0.00004  -0.00008  -0.00003   2.08727
   A166       2.11946   0.00001   0.00008  -0.00002   0.00006   2.11951
   A167       2.08659  -0.00000   0.00001  -0.00001  -0.00000   2.08659
   A168       2.07712  -0.00001  -0.00009   0.00004  -0.00005   2.07706
   A169       2.05446  -0.00000   0.00003  -0.00004  -0.00001   2.05446
   A170       2.12479   0.00000   0.00021  -0.00012   0.00009   2.12488
   A171       2.10387   0.00000  -0.00023   0.00015  -0.00008   2.10379
   A172       2.05507  -0.00001   0.00006  -0.00006  -0.00000   2.05507
   A173       2.12239  -0.00000   0.00016  -0.00013   0.00004   2.12243
   A174       2.10568   0.00001  -0.00022   0.00019  -0.00004   2.10565
   A175       2.11974   0.00001   0.00006  -0.00002   0.00003   2.11977
   A176       2.07725  -0.00001  -0.00007   0.00003  -0.00004   2.07721
   A177       2.08619  -0.00000   0.00001  -0.00001   0.00000   2.08620
   A178       2.10355  -0.00000  -0.00008   0.00005  -0.00003   2.10352
   A179       2.08769  -0.00001   0.00005  -0.00008  -0.00003   2.08766
   A180       2.09193   0.00001   0.00003   0.00003   0.00006   2.09199
   A181       2.07922   0.00000   0.00001   0.00000   0.00001   2.07923
   A182       2.10021  -0.00001  -0.00003  -0.00006  -0.00008   2.10013
   A183       2.10373   0.00001   0.00002   0.00005   0.00007   2.10380
    D1        0.01263   0.00000   0.00008  -0.00000   0.00008   0.01270
    D2       -3.10677   0.00001   0.00068  -0.00008   0.00060  -3.10617
    D3       -3.12737   0.00000  -0.00002  -0.00001  -0.00002  -3.12740
    D4        0.03642   0.00000   0.00059  -0.00009   0.00050   0.03692
    D5        0.00654  -0.00000   0.00032   0.00008   0.00040   0.00694
    D6       -3.11589  -0.00001  -0.00022  -0.00003  -0.00025  -3.11614
    D7       -3.13665   0.00000   0.00042   0.00008   0.00050  -3.13615
    D8        0.02411  -0.00000  -0.00013  -0.00002  -0.00015   0.02396
    D9       -2.26273  -0.00001  -0.00100   0.00010  -0.00090  -2.26362
   D10        0.88448  -0.00001  -0.00085   0.00014  -0.00071   0.88377
   D11        0.88047  -0.00001  -0.00109   0.00010  -0.00100   0.87947
   D12       -2.25551  -0.00002  -0.00095   0.00014  -0.00081  -2.25632
   D13       -0.02289  -0.00000  -0.00073  -0.00008  -0.00081  -0.02370
   D14        3.13847   0.00000  -0.00132  -0.00019  -0.00150   3.13697
   D15        3.09579  -0.00001  -0.00135   0.00001  -0.00135   3.09444
   D16       -0.02603   0.00000  -0.00194  -0.00011  -0.00204  -0.02807
   D17        0.01442   0.00000   0.00099   0.00008   0.00107   0.01549
   D18       -3.12961   0.00001   0.00242   0.00019   0.00261  -3.12700
   D19        3.13673  -0.00001   0.00156   0.00019   0.00174   3.13848
   D20       -0.00730   0.00000   0.00299   0.00030   0.00329  -0.00401
   D21        3.12677  -0.00004  -0.00378  -0.00079  -0.00457   3.12220
   D22       -0.02860  -0.00004  -0.00525  -0.00056  -0.00580  -0.03441
   D23        0.00524  -0.00003  -0.00437  -0.00090  -0.00527  -0.00003
   D24        3.13305  -0.00003  -0.00584  -0.00067  -0.00651   3.12655
   D25        0.00421   0.00000  -0.00062  -0.00000  -0.00062   0.00359
   D26        3.12784   0.00000  -0.00019  -0.00002  -0.00021   3.12763
   D27       -3.13496  -0.00001  -0.00204  -0.00012  -0.00216  -3.13712
   D28       -0.01133  -0.00001  -0.00161  -0.00014  -0.00175  -0.01307
   D29       -0.00175   0.00002   0.00327   0.00015   0.00342   0.00167
   D30       -3.14069   0.00002   0.00110   0.00067   0.00176  -3.13894
   D31        3.13741   0.00003   0.00470   0.00027   0.00496  -3.14082
   D32       -0.00154   0.00003   0.00253   0.00078   0.00330   0.00176
   D33       -0.01485  -0.00000  -0.00005  -0.00008  -0.00013  -0.01498
   D34        3.10739   0.00000   0.00051   0.00003   0.00053   3.10792
   D35       -3.13805  -0.00000  -0.00049  -0.00006  -0.00055  -3.13860
   D36       -0.01581   0.00001   0.00007   0.00005   0.00011  -0.01570
   D37        0.00592   0.00004  -0.00059   0.00102   0.00043   0.00635
   D38       -3.13397   0.00001  -0.00269   0.00051  -0.00218  -3.13615
   D39       -3.12225   0.00003   0.00084   0.00080   0.00164  -3.12061
   D40        0.02105   0.00001  -0.00126   0.00029  -0.00097   0.02007
   D41        3.13277  -0.00002   0.00124  -0.00030   0.00094   3.13370
   D42       -0.03880  -0.00002   0.00063  -0.00040   0.00023  -0.03857
   D43       -0.02230  -0.00001  -0.00020  -0.00007  -0.00027  -0.02256
   D44        3.08933  -0.00001  -0.00081  -0.00017  -0.00097   3.08835
   D45       -0.01507  -0.00001   0.00691  -0.00055   0.00636  -0.00871
   D46        3.12635  -0.00002   0.00578  -0.00120   0.00458   3.13093
   D47        3.12477   0.00001   0.00907  -0.00003   0.00904   3.13382
   D48       -0.01699   0.00001   0.00794  -0.00069   0.00726  -0.00973
   D49       -0.00485  -0.00000   0.00188  -0.00022   0.00167  -0.00318
   D50        3.12339   0.00001  -0.00024   0.00000  -0.00023   3.12316
   D51        3.13849  -0.00003  -0.00028  -0.00073  -0.00101   3.13748
   D52       -0.01646  -0.00002  -0.00239  -0.00052  -0.00291  -0.01937
   D53        0.01308  -0.00002  -0.00829  -0.00003  -0.00832   0.00476
   D54       -3.13127  -0.00001  -0.00603  -0.00057  -0.00659  -3.13787
   D55       -3.12836  -0.00001  -0.00722   0.00059  -0.00663  -3.13498
   D56        0.01048  -0.00001  -0.00496   0.00005  -0.00490   0.00558
   D57        3.12924   0.00002   0.00688   0.00021   0.00710   3.13634
   D58       -0.04255   0.00001   0.02251   0.00021   0.02266  -0.01989
   D59       -0.05878   0.00006   0.02853   0.00047   0.02906  -0.02972
   D60       -0.01252   0.00001   0.00579  -0.00042   0.00537  -0.00715
   D61        3.09888   0.00001   0.02141  -0.00043   0.02094   3.11981
   D62        3.08265   0.00005   0.02744  -0.00016   0.02733   3.10999
   D63        3.13634   0.00001   0.00250  -0.00019   0.00233   3.13868
   D64       -0.00253   0.00000   0.00027   0.00034   0.00063  -0.00190
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   D67       -3.10557   0.00000   0.00168  -0.00015   0.00153  -3.10404
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   D69        0.01013   0.00001  -0.00048   0.00032  -0.00016   0.00997
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   D71       -3.13125   0.00001   0.00033   0.00020   0.00053  -3.13072
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   D73       -2.31489   0.00003   0.00059   0.00085   0.00144  -2.31345
   D74        0.81623   0.00003  -0.00019   0.00097   0.00078   0.81701
   D75        0.82649   0.00003  -0.00023   0.00098   0.00074   0.82723
   D76       -2.32558   0.00003  -0.00101   0.00109   0.00008  -2.32550
   D77       -0.01097  -0.00001  -0.00101  -0.00009  -0.00110  -0.01207
   D78       -3.13954  -0.00002   0.00106  -0.00031   0.00074  -3.13880
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   D80       -0.02286  -0.00001   0.00102   0.00008   0.00110  -0.02176
   D81        0.00695  -0.00001  -0.00220   0.00039  -0.00182   0.00513
   D82       -3.13762  -0.00001  -0.00296   0.00041  -0.00256  -3.14018
   D83       -3.10736  -0.00001  -0.01619   0.00036  -0.01588  -3.12325
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   D85       -3.09753  -0.00004  -0.01964   0.00017  -0.01940  -3.11692
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   D89       -3.13710   0.00001  -0.00197   0.00000  -0.00197  -3.13907
   D90        0.01969   0.00001  -0.00047  -0.00002  -0.00049   0.01920
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   D92       -0.02273  -0.00001   0.00240  -0.00010   0.00230  -0.02043
   D93       -0.00323  -0.00001   0.00067  -0.00002   0.00065  -0.00258
   D94        3.11583  -0.00001   0.00162  -0.00009   0.00154   3.11737
   D95       -0.00351  -0.00000   0.00356  -0.00038   0.00318  -0.00033
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   D97       -0.01956  -0.00000   0.00002   0.00004   0.00007  -0.01950
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   D99        3.13705  -0.00000   0.00151   0.00002   0.00153   3.13858
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   D114       0.85196   0.00001  -0.00094   0.00054  -0.00039   0.85157
   D115       0.83752   0.00001  -0.00081   0.00051  -0.00031   0.83721
   D116      -2.30911   0.00001  -0.00059   0.00041  -0.00017  -2.30928
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   D119      -0.00103   0.00000   0.00009  -0.00006   0.00003  -0.00100
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   D121       3.13536   0.00000  -0.00019   0.00003  -0.00015   3.13521
   D122       0.03630   0.00001  -0.00000   0.00017   0.00016   0.03647
   D123      -0.00143   0.00000  -0.00006   0.00007   0.00001  -0.00142
   D124      -3.10049   0.00001   0.00012   0.00020   0.00033  -3.10016
   D125       3.12973   0.00000  -0.00068   0.00014  -0.00054   3.12919
   D126       0.03946  -0.00001  -0.00058  -0.00023  -0.00081   0.03865
   D127      -0.00295  -0.00000  -0.00002   0.00005   0.00003  -0.00292
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   D130       0.06259  -0.00001   0.00078  -0.00041   0.00038   0.06297
   D131      -0.00029   0.00000   0.00005  -0.00008  -0.00002  -0.00031
   D132      -3.08795  -0.00001   0.00012  -0.00031  -0.00019  -3.08814
   D133       3.12936  -0.00000   0.00017  -0.00013   0.00004   3.12941
   D134       0.03533   0.00000   0.00036  -0.00012   0.00024   0.03557
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   D143       3.10021   0.00001  -0.00010   0.00033   0.00023   3.10044
   D144      -0.02784   0.00002   0.00038   0.00041   0.00079  -0.02705
   D145       3.11254  -0.00000  -0.00033   0.00002  -0.00031   3.11223
   D146      -0.02237  -0.00001  -0.00067   0.00010  -0.00058  -0.02295
   D147       0.02792  -0.00002  -0.00022  -0.00039  -0.00061   0.02731
   D148      -3.10699  -0.00002  -0.00056  -0.00031  -0.00087  -3.10787
   D149      -0.00504   0.00000   0.00005  -0.00005   0.00000  -0.00504
   D150       3.11796  -0.00001  -0.00047  -0.00018  -0.00065   3.11731
   D151       3.12040  -0.00001  -0.00052  -0.00015  -0.00067   3.11973
   D152      -0.03978  -0.00002  -0.00105  -0.00028  -0.00132  -0.04110
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   D155      -3.11574   0.00000   0.00036  -0.00007   0.00029  -3.11545
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   D157       0.00331  -0.00000  -0.00006   0.00007   0.00001   0.00332
   D158       3.09629   0.00001  -0.00012   0.00028   0.00016   3.09645
   D159      -3.12270   0.00001   0.00038   0.00018   0.00056  -3.12214
   D160      -0.02971   0.00002   0.00032   0.00039   0.00071  -0.02901
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   D162       0.02083   0.00001   0.00036   0.00013   0.00050   0.02133
   D163       0.00876  -0.00001  -0.00031  -0.00017  -0.00048   0.00829
   D164      -3.14121  -0.00000  -0.00021  -0.00001  -0.00022  -3.14143
   D165       3.11070  -0.00000  -0.00019  -0.00011  -0.00030   3.11041
   D166      -0.01579  -0.00000  -0.00020  -0.00006  -0.00026  -0.01604
   D167       0.02894  -0.00001  -0.00012  -0.00036  -0.00048   0.02845
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   D170      -3.12656   0.00001   0.00024   0.00033   0.00057  -3.12599
   D171       3.10542  -0.00001  -0.00028  -0.00009  -0.00037   3.10506
   D172      -0.02415   0.00001   0.00005   0.00021   0.00025  -0.02390
   D173       3.11718  -0.00001  -0.00019  -0.00028  -0.00048   3.11670
   D174      -0.01481  -0.00001  -0.00020  -0.00024  -0.00043  -0.01525
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   D176      -3.10830  -0.00000   0.00005  -0.00010  -0.00004  -3.10834
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   D178       3.12386  -0.00002  -0.00026  -0.00038  -0.00064   3.12322
   D179       3.12338  -0.00002  -0.00035  -0.00034  -0.00069   3.12270
   D180      -0.03212  -0.00003  -0.00065  -0.00073  -0.00138  -0.03350
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   D183      -3.11844   0.00001   0.00031   0.00024   0.00055  -3.11790
   D184       0.01648   0.00002   0.00035   0.00033   0.00069   0.01717
   D185       0.00326  -0.00000   0.00001  -0.00005  -0.00004   0.00321
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   D187      -3.12671   0.00001   0.00027   0.00027   0.00054  -3.12618
   D188      -0.02354   0.00001   0.00011   0.00015   0.00026  -0.02329
   D189      -3.11889   0.00001   0.00020   0.00031   0.00051  -3.11839
   D190       0.01642   0.00002   0.00028   0.00039   0.00066   0.01709
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   D207       3.12260  -0.00002  -0.00027  -0.00038  -0.00065   3.12195
   D208      -0.03614  -0.00003  -0.00081  -0.00061  -0.00141  -0.03756
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   D211      -3.11783   0.00001   0.00021   0.00019   0.00039  -3.11744
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   D282       3.11877   0.00000  -0.00006   0.00012   0.00005   3.11882
   D283       3.13670  -0.00000   0.00012  -0.00012   0.00000   3.13670
   D284      -0.01656   0.00000   0.00016  -0.00006   0.00010  -0.01647
   D285      -0.00427   0.00000  -0.00011   0.00008  -0.00003  -0.00430
   D286       3.13983  -0.00000   0.00007  -0.00007  -0.00001   3.13982
   D287       3.12744  -0.00000  -0.00006   0.00005  -0.00001   3.12743
   D288      -0.01165  -0.00000   0.00012  -0.00011   0.00002  -0.01163
   D289      -0.01058   0.00000   0.00004   0.00006   0.00010  -0.01048
   D290       3.13753   0.00000   0.00019   0.00001   0.00020   3.13773
   D291       3.12850   0.00000  -0.00014   0.00022   0.00008   3.12857
   D292      -0.00657   0.00000   0.00001   0.00017   0.00017  -0.00640
   D293       0.00863   0.00000   0.00010  -0.00001   0.00009   0.00872
   D294      -3.12571  -0.00000   0.00005  -0.00014  -0.00009  -3.12580
   D295      -3.13950  -0.00000  -0.00005   0.00004  -0.00001  -3.13951
   D296       0.00935  -0.00001  -0.00010  -0.00009  -0.00019   0.00916
         Item               Value     Threshold  Converged?
 Maximum Force            0.000245     0.000450     YES
 RMS     Force            0.000033     0.000300     YES
 Maximum Displacement     0.190478     0.001800     NO 
 RMS     Displacement     0.015824     0.001200     NO 
 Predicted change in Energy=-3.914677D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.034241    2.958006    0.093005
      2          6           0       -2.307626    1.594152    0.015802
      3          6           0       -1.276881    0.636801    0.001873
      4          6           0        0.060591    1.094824    0.039226
      5          6           0        0.327269    2.475688    0.107638
      6          6           0       -0.698259    3.399828    0.143531
      7          6           0       -1.551506   -0.807862   -0.073636
      8          6           0       -0.481889   -1.751181   -0.109582
      9          6           0        0.886800   -1.271982   -0.062818
     10          6           0        1.166443    0.143135    0.008344
     11          6           0       -2.867611   -1.291829   -0.093945
     12          6           0       -3.150668   -2.656005   -0.174509
     13          6           0       -2.088964   -3.576689   -0.227983
     14          6           0       -0.783145   -3.130073   -0.188801
     15          7           0        1.943801   -2.104454   -0.080724
     16          6           0        3.229849   -1.650830   -0.042699
     17          6           0        3.445460   -0.242246    0.024484
     18          7           0        2.403066    0.617709    0.048358
     19          6           0        4.331151   -2.541242   -0.064004
     20          6           0        5.603165   -2.023448   -0.022021
     21          6           0        5.839144   -0.615669    0.025393
     22          6           0        4.768954    0.258882    0.046020
     23          7           0       -3.093061    3.893144    0.122278
     24          7           0       -4.486470   -3.101274   -0.200599
     25          7           0        7.164705   -0.140762    0.073817
     26          6           0       -5.021214   -4.142648    0.581371
     27          6           0       -6.398312   -4.278097    0.280603
     28          6           0       -6.713389   -3.286320   -0.727311
     29          6           0       -5.518367   -2.576732   -1.000428
     30          6           0       -3.208610    5.026638   -0.698927
     31          6           0       -4.401818    5.714017   -0.365246
     32          6           0       -5.034277    4.969820    0.704494
     33          6           0       -4.205595    3.853859    0.979515
     34          6           0        7.669720    0.814470    0.975091
     35          6           0        9.047379    1.008076    0.708935
     36          6           0        9.391572    0.145417   -0.403040
     37          6           0        8.212766   -0.547683   -0.771224
     38          6           0       -7.884609   -2.962841   -1.420346
     39          6           0       -7.849430   -1.951806   -2.376198
     40          6           0       -6.651619   -1.273787   -2.652801
     41          6           0       -5.471568   -1.577399   -1.976056
     42          6           0       -4.407503   -4.928248    1.560431
     43          6           0       -5.190150   -5.878783    2.213276
     44          6           0       -6.551866   -6.040076    1.911215
     45          6           0       -7.162561   -5.239144    0.950968
     46          6           0       -6.204251    5.161785    1.447644
     47          6           0       -6.526332    4.253355    2.451375
     48          6           0       -5.684212    3.163019    2.724237
     49          6           0       -4.514010    2.948902    1.998530
     50          6           0       -2.378092    5.464604   -1.733861
     51          6           0       -2.746577    6.623270   -2.414822
     52          6           0       -3.915959    7.327136   -2.083697
     53          6           0       -4.749157    6.874956   -1.064842
     54          6           0       10.575467   -0.077528   -1.114066
     55          6           0       10.567245   -0.973227   -2.179337
     56          6           0        9.384623   -1.635149   -2.546238
     57          6           0        8.191753   -1.428866   -1.855474
     58          6           0        7.029738    1.475310    2.026278
     59          6           0        7.787208    2.356761    2.795577
     60          6           0        9.149112    2.574497    2.532507
     61          6           0        9.785252    1.899705    1.494829
     62          1           0       -3.344229    1.293732   -0.055173
     63          1           0        1.361132    2.796166    0.148268
     64          1           0       -0.485391    4.459424    0.227517
     65          1           0       -3.702568   -0.609336   -0.018338
     66          1           0       -2.291959   -4.636861   -0.323072
     67          1           0        0.012397   -3.870298   -0.234903
     68          1           0        1.864000   -3.219179   -0.113845
     69          1           0        4.139345   -3.610001   -0.092376
     70          1           0        6.454388   -2.694430   -0.002183
     71          1           0        4.910215    1.332488    0.061245
     72          1           0       -8.806796   -3.500043   -1.219157
     73          1           0       -8.751914   -1.689789   -2.919381
     74          1           0       -6.638407   -0.498592   -3.412934
     75          1           0       -4.549823   -1.059975   -2.215550
     76          1           0       -3.361337   -4.807000    1.815603
     77          1           0       -4.732386   -6.504456    2.973339
     78          1           0       -7.132302   -6.792009    2.436472
     79          1           0       -8.219355   -5.352967    0.727896
     80          1           0       -6.848607    6.012570    1.246204
     81          1           0       -7.432317    4.389747    3.033398
     82          1           0       -5.945583    2.470936    3.519003
     83          1           0       -3.864936    2.111798    2.229122
     84          1           0       -1.481053    4.921761   -2.009288
     85          1           0       -2.115342    6.984144   -3.221288
     86          1           0       -4.173502    8.227329   -2.632838
     87          1           0       -5.660729    7.411695   -0.818790
     88          1           0       11.486396    0.447188   -0.841416
     89          1           0       11.479605   -1.156710   -2.737954
     90          1           0        9.393264   -2.319121   -3.389344
     91          1           0        7.282370   -1.931596   -2.164350
     92          1           0        5.982515    1.307276    2.249114
     93          1           0        7.310028    2.882761    3.616894
     94          1           0        9.709799    3.270471    3.148477
     95          1           0       10.842099    2.056936    1.300374
     96         17           0        2.050843   -5.025396   -0.143666
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463245           0.0189104           0.0145410
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7844.9782706509 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000406    0.000060    0.000050 Ang=  -0.05 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58793722     A.U. after   10 cycles
            NFock= 10  Conv=0.84D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012311    0.000006613    0.000001497
      2        6          -0.000005480    0.000015209   -0.000008030
      3        6          -0.000018566   -0.000065639   -0.000022924
      4        6           0.000070460   -0.000007074    0.000030564
      5        6          -0.000024274   -0.000005424   -0.000021228
      6        6           0.000008328   -0.000006255   -0.000007490
      7        6          -0.000073921    0.000081158    0.000039524
      8        6           0.000143447   -0.000067557   -0.000045825
      9        6           0.000017872   -0.000064992   -0.000017481
     10        6          -0.000071008    0.000060294   -0.000002058
     11        6          -0.000007389   -0.000037805    0.000032812
     12        6           0.000147879    0.000082766    0.000002358
     13        6          -0.000025678   -0.000037944   -0.000026113
     14        6           0.000095428    0.000012223    0.000010769
     15        7          -0.000044554    0.000420887   -0.000020949
     16        6          -0.000077977   -0.000033855   -0.000012953
     17        6           0.000012157   -0.000019948    0.000009810
     18        7           0.000011402   -0.000001040    0.000026670
     19        6           0.000059564    0.000019459    0.000017612
     20        6          -0.000025272   -0.000101189   -0.000009825
     21        6          -0.000085572    0.000044493    0.000001168
     22        6           0.000068670    0.000002911   -0.000001345
     23        7           0.000050297   -0.000022771   -0.000002071
     24        7          -0.000172135   -0.000069906   -0.000009940
     25        7           0.000025495    0.000023875   -0.000005313
     26        6           0.000007036    0.000049476    0.000027522
     27        6          -0.000004626   -0.000029913   -0.000023532
     28        6          -0.000040487    0.000006747    0.000013184
     29        6           0.000100547   -0.000028382    0.000001333
     30        6           0.000001750    0.000046712    0.000003018
     31        6           0.000029438    0.000062168    0.000021508
     32        6          -0.000039448   -0.000055912   -0.000020817
     33        6          -0.000038939   -0.000028448   -0.000005918
     34        6           0.000001265    0.000001375    0.000005037
     35        6          -0.000020956    0.000059870   -0.000013097
     36        6           0.000036612   -0.000049415    0.000014790
     37        6           0.000013569   -0.000006740   -0.000007917
     38        6           0.000013203    0.000014426   -0.000031961
     39        6          -0.000002739   -0.000010456    0.000019444
     40        6           0.000010082   -0.000012990   -0.000000991
     41        6          -0.000018660    0.000015526    0.000001396
     42        6           0.000004389   -0.000011197   -0.000012203
     43        6          -0.000004900    0.000012505    0.000001800
     44        6          -0.000007892    0.000001327   -0.000025200
     45        6           0.000014476    0.000004198    0.000036717
     46        6           0.000018582    0.000004146    0.000033068
     47        6           0.000007069    0.000004499   -0.000012954
     48        6          -0.000006033    0.000015783    0.000002123
     49        6           0.000004160    0.000006519    0.000000948
     50        6          -0.000005527   -0.000007523    0.000000725
     51        6          -0.000016681   -0.000004245   -0.000001225
     52        6          -0.000001062   -0.000007335    0.000012564
     53        6           0.000005238   -0.000018292   -0.000032478
     54        6          -0.000015992    0.000003119   -0.000033983
     55        6          -0.000001555    0.000003338    0.000017419
     56        6          -0.000001371    0.000013337    0.000001167
     57        6          -0.000000892    0.000001935   -0.000001876
     58        6          -0.000002627   -0.000000140    0.000001994
     59        6           0.000015119   -0.000005221   -0.000000048
     60        6           0.000000874   -0.000005007   -0.000012596
     61        6          -0.000007739   -0.000021470    0.000029717
     62        1          -0.000000846   -0.000004414   -0.000011874
     63        1           0.000003612   -0.000001868    0.000002341
     64        1          -0.000005419    0.000001560    0.000001326
     65        1          -0.000001424   -0.000002021    0.000019223
     66        1          -0.000016607    0.000001330    0.000002119
     67        1           0.000037161    0.000053135   -0.000013250
     68        1          -0.000034317   -0.000420998    0.000055186
     69        1           0.000002406    0.000007279   -0.000017169
     70        1           0.000007448    0.000012188    0.000004509
     71        1          -0.000004698    0.000000419    0.000000978
     72        1          -0.000000624   -0.000001712    0.000008567
     73        1           0.000003987    0.000000769   -0.000007876
     74        1          -0.000004485    0.000005919    0.000003028
     75        1           0.000003973   -0.000003454    0.000005204
     76        1           0.000007171    0.000008013   -0.000005387
     77        1           0.000003445   -0.000005668   -0.000002924
     78        1           0.000000735    0.000004868    0.000010468
     79        1          -0.000000465   -0.000000193   -0.000010307
     80        1          -0.000000146    0.000001112   -0.000009058
     81        1           0.000002080   -0.000001994    0.000005070
     82        1          -0.000001409   -0.000004806   -0.000001959
     83        1           0.000004309    0.000000589   -0.000001812
     84        1           0.000002811   -0.000003365    0.000000317
     85        1           0.000004295    0.000003551    0.000002348
     86        1           0.000003192   -0.000000674   -0.000005138
     87        1          -0.000000732   -0.000001698    0.000009868
     88        1           0.000000220   -0.000000313    0.000009271
     89        1          -0.000003360    0.000000556   -0.000007547
     90        1           0.000002903   -0.000005181    0.000001296
     91        1          -0.000002868   -0.000001248    0.000007557
     92        1           0.000000078   -0.000002602   -0.000006003
     93        1          -0.000003079    0.000004516   -0.000000864
     94        1          -0.000001938   -0.000002081    0.000005257
     95        1           0.000000553    0.000001765   -0.000007877
     96       17          -0.000120108    0.000103909   -0.000012803
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000420998 RMS     0.000046984

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000328341 RMS     0.000037555
 Search for a local minimum.
 Step number  22 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16   17   18
                                                     19   20   21   22
 DE= -3.52D-06 DEPred=-3.91D-06 R= 8.99D-01
 TightC=F SS=  1.41D+00  RLast= 6.98D-02 DXNew= 5.0454D+00 2.0944D-01
 Trust test= 8.99D-01 RLast= 6.98D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 ITU=  1  0
     Eigenvalues ---    0.00194   0.00806   0.01238   0.01689   0.02287
     Eigenvalues ---    0.02705   0.02720   0.02728   0.02734   0.02745
     Eigenvalues ---    0.02746   0.02753   0.02761   0.02768   0.02776
     Eigenvalues ---    0.02788   0.02788   0.02792   0.02793   0.02793
     Eigenvalues ---    0.02795   0.02799   0.02810   0.02816   0.02817
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02820   0.02826
     Eigenvalues ---    0.02832   0.02834   0.02838   0.02839   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02854   0.02856   0.02858   0.02865   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02871   0.02872
     Eigenvalues ---    0.02872   0.02876   0.02876   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02880   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02886   0.02890   0.02895   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02903   0.02904
     Eigenvalues ---    0.02909   0.02910   0.02928   0.02942   0.02944
     Eigenvalues ---    0.02946   0.02978   0.03023   0.03027   0.03084
     Eigenvalues ---    0.03126   0.03127   0.03135   0.03142   0.03148
     Eigenvalues ---    0.03191   0.03311   0.03549   0.05710   0.11380
     Eigenvalues ---    0.15031   0.15797   0.15884   0.15972   0.15995
     Eigenvalues ---    0.15996   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16004   0.16006   0.16029
     Eigenvalues ---    0.16054   0.16077   0.16185   0.17406   0.20417
     Eigenvalues ---    0.21871   0.21996   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22312   0.22364   0.22472   0.22522
     Eigenvalues ---    0.22600   0.22601   0.22602   0.22606   0.22642
     Eigenvalues ---    0.22767   0.23511   0.23520   0.23893   0.24093
     Eigenvalues ---    0.24475   0.24476   0.24485   0.24511   0.24519
     Eigenvalues ---    0.24623   0.24690   0.24778   0.24927   0.24963
     Eigenvalues ---    0.24965   0.24971   0.24975   0.24978   0.24994
     Eigenvalues ---    0.24999   0.25008   0.25008   0.25017   0.25043
     Eigenvalues ---    0.25143   0.25363   0.25601   0.30385   0.33130
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33319   0.33389   0.33391   0.33395
     Eigenvalues ---    0.33396   0.33397   0.33401   0.33455   0.33560
     Eigenvalues ---    0.33566   0.33571   0.33575   0.33576   0.33681
     Eigenvalues ---    0.33846   0.33862   0.33882   0.33890   0.33901
     Eigenvalues ---    0.33907   0.33936   0.33960   0.34041   0.34339
     Eigenvalues ---    0.34778   0.35441   0.35944   0.44456   0.44472
     Eigenvalues ---    0.44642   0.45223   0.47259   0.48079   0.48700
     Eigenvalues ---    0.48938   0.48960   0.49614   0.49742   0.50194
     Eigenvalues ---    0.50257   0.50366   0.50395   0.50593   0.50612
     Eigenvalues ---    0.50675   0.51159   0.52691   0.52891   0.53163
     Eigenvalues ---    0.54047   0.54101   0.54193   0.54199   0.54210
     Eigenvalues ---    0.54312   0.54814   0.54871   0.55252   0.55343
     Eigenvalues ---    0.55492   0.55577   0.55723   0.55818   0.55905
     Eigenvalues ---    0.55938   0.56100   0.56127   0.56147   0.56214
     Eigenvalues ---    0.56359   0.56458   0.56656   0.56664   0.56665
     Eigenvalues ---    0.56670   0.56683   0.56700   0.56734   0.56869
     Eigenvalues ---    0.56914   0.56916   0.57073   0.57160   0.57162
     Eigenvalues ---    0.57167   0.57174   0.57180   0.59681   0.61693
     Eigenvalues ---    0.62728   0.65917   0.66039   0.67445   0.67703
     Eigenvalues ---    0.67736   0.68571   0.69724   0.69833   0.69934
     Eigenvalues ---    0.74248   0.76172
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    22   21   20   19   18   17   16   15   14   13
 RFO step:  Lambda=-4.91728408D-06.
 DIIS inversion failure, remove point  10.
 RFO-DIIS uses    9 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.32709    0.06885   -0.73712    0.38889    0.06551
                  RFO-DIIS coefs:   -0.18385   -0.06533    0.13821   -0.00227    0.00000
 Iteration  1 RMS(Cart)=  0.00401904 RMS(Int)=  0.00001869
 Iteration  2 RMS(Cart)=  0.00000819 RMS(Int)=  0.00001826
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001826
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63263  -0.00001  -0.00004   0.00001  -0.00003   2.63260
    R2        2.66083   0.00000   0.00014  -0.00010   0.00004   2.66087
    R3        2.67010  -0.00003  -0.00021   0.00008  -0.00013   2.66996
    R4        2.65851  -0.00000   0.00005  -0.00003   0.00002   2.65853
    R5        2.04391   0.00000   0.00003  -0.00000   0.00002   2.04393
    R6        2.67248   0.00011   0.00012   0.00003   0.00014   2.67263
    R7        2.78257   0.00000  -0.00005  -0.00005  -0.00010   2.78247
    R8        2.66081  -0.00001  -0.00002   0.00000  -0.00002   2.66080
    R9        2.75769  -0.00001   0.00010  -0.00014  -0.00005   2.75764
   R10        2.60962  -0.00000  -0.00001  -0.00001  -0.00002   2.60960
   R11        2.04687   0.00000   0.00002   0.00001   0.00002   2.04689
   R12        2.04851   0.00000  -0.00001   0.00002   0.00001   2.04852
   R13        2.69591  -0.00002   0.00012  -0.00005   0.00007   2.69598
   R14        2.65018   0.00000   0.00001   0.00002   0.00003   2.65021
   R15        2.74182  -0.00026  -0.00024  -0.00000  -0.00024   2.74157
   R16        2.67139  -0.00008  -0.00016  -0.00002  -0.00018   2.67121
   R17        2.72921  -0.00009   0.00030  -0.00021   0.00009   2.72930
   R18        2.54277  -0.00032  -0.00017  -0.00017  -0.00037   2.54240
   R19        2.50420   0.00005   0.00001   0.00001   0.00006   2.50425
   R20        2.63723   0.00002   0.00001  -0.00007  -0.00005   2.63717
   R21        2.04289   0.00000   0.00007  -0.00004   0.00004   2.04292
   R22        2.65756   0.00001   0.00008  -0.00012  -0.00004   2.65752
   R23        2.66130   0.00010  -0.00006   0.00023   0.00016   2.66147
   R24        2.60903   0.00001  -0.00000   0.00004   0.00004   2.60907
   R25        2.04773  -0.00000  -0.00000   0.00001   0.00000   2.04773
   R26        2.05533   0.00001  -0.00032  -0.00002  -0.00034   2.05499
   R27        2.57803  -0.00008  -0.00032  -0.00003  -0.00039   2.57764
   R28        2.11284   0.00022   0.00604  -0.00030   0.00569   2.11853
   R29        5.52477   0.00006  -0.00514  -0.00030  -0.00540   5.51937
   R30        2.69583   0.00005   0.00006   0.00000   0.00006   2.69589
   R31        2.67658   0.00002   0.00056  -0.00024   0.00032   2.67690
   R32        2.55405   0.00011   0.00010   0.00002   0.00015   2.55420
   R33        2.67463   0.00003   0.00009   0.00002   0.00010   2.67474
   R34        2.59650  -0.00005  -0.00024   0.00003  -0.00021   2.59628
   R35        2.05263  -0.00001  -0.00014   0.00001  -0.00013   2.05250
   R36        2.69892   0.00006   0.00024  -0.00002   0.00023   2.69915
   R37        2.04858   0.00000  -0.00000   0.00001   0.00000   2.04858
   R38        2.61205  -0.00003  -0.00007  -0.00005  -0.00012   2.61193
   R39        2.66243   0.00004  -0.00020   0.00016  -0.00003   2.66240
   R40        2.04651   0.00000   0.00002  -0.00000   0.00002   2.04653
   R41        2.65407   0.00002   0.00003   0.00001   0.00004   2.65410
   R42        2.65514   0.00002   0.00004   0.00001   0.00004   2.65518
   R43        2.66035  -0.00004   0.00001  -0.00011  -0.00011   2.66024
   R44        2.65887  -0.00007  -0.00013  -0.00008  -0.00021   2.65866
   R45        2.65895  -0.00000   0.00013  -0.00008   0.00004   2.65899
   R46        2.65781   0.00000   0.00009  -0.00006   0.00003   2.65784
   R47        2.67595   0.00001   0.00011  -0.00007   0.00004   2.67599
   R48        2.64046  -0.00001   0.00004  -0.00006  -0.00002   2.64044
   R49        2.73768   0.00001   0.00008  -0.00003   0.00005   2.73774
   R50        2.64365  -0.00000   0.00004  -0.00002   0.00003   2.64367
   R51        2.67660   0.00002   0.00012  -0.00004   0.00009   2.67669
   R52        2.64338  -0.00000   0.00003  -0.00002   0.00002   2.64340
   R53        2.64069  -0.00000   0.00004  -0.00002   0.00001   2.64070
   R54        2.67753  -0.00000   0.00009  -0.00008   0.00001   2.67755
   R55        2.64066  -0.00001   0.00004  -0.00004  -0.00001   2.64065
   R56        2.73729   0.00003   0.00007  -0.00001   0.00006   2.73735
   R57        2.64417  -0.00001   0.00003  -0.00004  -0.00001   2.64416
   R58        2.67763  -0.00001   0.00006  -0.00007  -0.00000   2.67762
   R59        2.64424  -0.00001   0.00004  -0.00003   0.00000   2.64424
   R60        2.64052  -0.00001   0.00001  -0.00002  -0.00001   2.64051
   R61        2.67666  -0.00000   0.00006  -0.00006   0.00000   2.67666
   R62        2.63973  -0.00001   0.00004  -0.00004  -0.00001   2.63972
   R63        2.73791   0.00003   0.00008  -0.00001   0.00007   2.73799
   R64        2.64365  -0.00001   0.00002  -0.00002  -0.00000   2.64365
   R65        2.67617  -0.00000   0.00007  -0.00006   0.00001   2.67618
   R66        2.64350  -0.00001   0.00002  -0.00002  -0.00000   2.64350
   R67        2.64057  -0.00001   0.00004  -0.00005  -0.00001   2.64056
   R68        2.63010  -0.00001  -0.00007   0.00001  -0.00006   2.63005
   R69        2.05233   0.00000   0.00002  -0.00000   0.00002   2.05234
   R70        2.65301  -0.00000   0.00007  -0.00003   0.00003   2.65304
   R71        2.05118   0.00000  -0.00001   0.00001   0.00000   2.05118
   R72        2.63390  -0.00001  -0.00005   0.00001  -0.00004   2.63386
   R73        2.05181   0.00000   0.00001  -0.00000   0.00001   2.05183
   R74        2.04815  -0.00000   0.00002  -0.00001   0.00001   2.04816
   R75        2.63362  -0.00001  -0.00007   0.00002  -0.00004   2.63358
   R76        2.04778   0.00001   0.00002   0.00002   0.00004   2.04782
   R77        2.65338   0.00000   0.00008  -0.00003   0.00005   2.65344
   R78        2.05165   0.00000   0.00001  -0.00000   0.00001   2.05166
   R79        2.62972  -0.00001  -0.00008   0.00002  -0.00005   2.62966
   R80        2.05121   0.00000  -0.00001   0.00001   0.00000   2.05121
   R81        2.05236   0.00000   0.00002  -0.00001   0.00002   2.05237
   R82        2.62968  -0.00001  -0.00006   0.00001  -0.00005   2.62963
   R83        2.05243   0.00000   0.00001  -0.00000   0.00001   2.05244
   R84        2.65401  -0.00001   0.00006  -0.00005   0.00001   2.65402
   R85        2.05117   0.00000  -0.00002   0.00002  -0.00000   2.05117
   R86        2.63335  -0.00000  -0.00002   0.00001  -0.00002   2.63334
   R87        2.05185   0.00000   0.00002  -0.00001   0.00001   2.05186
   R88        2.04860   0.00000  -0.00002   0.00003   0.00001   2.04861
   R89        2.63344  -0.00000  -0.00002   0.00001  -0.00002   2.63342
   R90        2.04861   0.00000  -0.00003   0.00004   0.00001   2.04861
   R91        2.65406  -0.00001   0.00005  -0.00004   0.00001   2.65406
   R92        2.05196   0.00000   0.00002  -0.00001   0.00001   2.05197
   R93        2.62988  -0.00001  -0.00006   0.00001  -0.00005   2.62983
   R94        2.05123   0.00000  -0.00002   0.00002  -0.00000   2.05123
   R95        2.05241   0.00000   0.00002  -0.00001   0.00001   2.05242
   R96        2.63015  -0.00001  -0.00006   0.00001  -0.00005   2.63010
   R97        2.05230   0.00000   0.00002  -0.00001   0.00001   2.05231
   R98        2.65327  -0.00000   0.00004  -0.00003   0.00001   2.65328
   R99        2.05113   0.00000  -0.00001   0.00001   0.00000   2.05113
   R100       2.63388  -0.00000  -0.00003   0.00001  -0.00002   2.63386
   R101       2.05165   0.00000   0.00002  -0.00000   0.00001   2.05167
   R102       2.04852   0.00000  -0.00001   0.00001  -0.00000   2.04852
   R103       2.63381  -0.00000  -0.00002   0.00000  -0.00001   2.63379
   R104       2.04804  -0.00000  -0.00003   0.00003   0.00000   2.04804
   R105       2.65330  -0.00001   0.00003  -0.00003   0.00000   2.65330
   R106       2.05184   0.00000   0.00001  -0.00000   0.00001   2.05185
   R107       2.62991  -0.00001  -0.00006   0.00001  -0.00004   2.62987
   R108       2.05118   0.00000  -0.00001   0.00001   0.00000   2.05118
   R109       2.05230   0.00000   0.00002  -0.00001   0.00001   2.05231
   R110       3.43193  -0.00019  -0.01144   0.00009  -0.01140   3.42053
    A1        2.08906   0.00001  -0.00003   0.00002  -0.00001   2.08905
    A2        2.09673  -0.00001   0.00004  -0.00004  -0.00000   2.09673
    A3        2.09740  -0.00000  -0.00001   0.00002   0.00001   2.09741
    A4        2.12114  -0.00000  -0.00004   0.00005   0.00001   2.12115
    A5        2.05289   0.00001   0.00022  -0.00010   0.00012   2.05301
    A6        2.10893  -0.00000  -0.00019   0.00005  -0.00014   2.10879
    A7        2.06265  -0.00001   0.00009  -0.00009  -0.00000   2.06264
    A8        2.13118   0.00000  -0.00013   0.00002  -0.00011   2.13107
    A9        2.08920   0.00001   0.00002   0.00007   0.00010   2.08930
   A10        2.09211  -0.00001  -0.00009   0.00004  -0.00006   2.09206
   A11        2.10006  -0.00002   0.00008  -0.00007   0.00002   2.10008
   A12        2.09101   0.00003   0.00001   0.00003   0.00003   2.09105
   A13        2.11402   0.00000   0.00003   0.00001   0.00004   2.11406
   A14        2.06322  -0.00000  -0.00004  -0.00002  -0.00006   2.06316
   A15        2.10581   0.00000   0.00001   0.00001   0.00002   2.10583
   A16        2.08713   0.00001   0.00004  -0.00003   0.00001   2.08714
   A17        2.08956  -0.00001  -0.00006  -0.00000  -0.00007   2.08950
   A18        2.10634   0.00000   0.00003   0.00003   0.00006   2.10640
   A19        2.10621  -0.00007  -0.00013  -0.00005  -0.00017   2.10604
   A20        2.11104   0.00014   0.00022   0.00009   0.00031   2.11135
   A21        2.06583  -0.00007  -0.00009  -0.00004  -0.00013   2.06571
   A22        2.08068   0.00001   0.00014  -0.00007   0.00007   2.08075
   A23        2.07900   0.00013   0.00001   0.00011   0.00012   2.07912
   A24        2.12350  -0.00014  -0.00015  -0.00004  -0.00019   2.12331
   A25        2.10349   0.00016  -0.00000   0.00010   0.00014   2.10364
   A26        2.13680  -0.00033  -0.00047  -0.00014  -0.00058   2.13622
   A27        2.04289   0.00017   0.00047   0.00003   0.00043   2.04333
   A28        2.08669  -0.00010  -0.00020   0.00001  -0.00019   2.08651
   A29        2.06345   0.00021   0.00038   0.00003   0.00041   2.06386
   A30        2.13304  -0.00011  -0.00018  -0.00004  -0.00022   2.13282
   A31        2.12765  -0.00003  -0.00002  -0.00007  -0.00009   2.12756
   A32        2.10127   0.00001  -0.00011   0.00014   0.00003   2.10131
   A33        2.05388   0.00001   0.00012  -0.00007   0.00005   2.05393
   A34        2.08177   0.00006   0.00009   0.00011   0.00021   2.08197
   A35        2.09731  -0.00002  -0.00007   0.00003  -0.00004   2.09727
   A36        2.10411  -0.00004  -0.00003  -0.00014  -0.00017   2.10394
   A37        2.09576  -0.00004  -0.00017  -0.00001  -0.00018   2.09559
   A38        2.09720   0.00000  -0.00001  -0.00011  -0.00012   2.09708
   A39        2.08996   0.00004   0.00019   0.00012   0.00031   2.09028
   A40        2.11610  -0.00005   0.00012  -0.00011   0.00002   2.11613
   A41        2.10639  -0.00004  -0.00055   0.00014  -0.00041   2.10599
   A42        2.06059   0.00009   0.00042  -0.00003   0.00039   2.06098
   A43        2.13463   0.00004  -0.00058   0.00012  -0.00030   2.13433
   A44        2.16657  -0.00016  -0.00004  -0.00032  -0.00028   2.16629
   A45        2.27465  -0.00023  -0.00161  -0.00003  -0.00142   2.27323
   A46        1.98190   0.00012   0.00021   0.00019   0.00050   1.98241
   A47        1.87370   0.00019   0.00148  -0.00008   0.00161   1.87531
   A48        2.06248  -0.00007   0.00045  -0.00014   0.00024   2.06272
   A49        2.12178   0.00005  -0.00015   0.00004  -0.00005   2.12173
   A50        2.09892   0.00002  -0.00031   0.00009  -0.00019   2.09873
   A51        2.10891   0.00001  -0.00003   0.00001  -0.00002   2.10889
   A52        2.08478  -0.00003   0.00001   0.00003   0.00003   2.08481
   A53        2.08938   0.00002   0.00002  -0.00004  -0.00000   2.08938
   A54        2.08441  -0.00004  -0.00019   0.00001  -0.00014   2.08427
   A55        2.07426  -0.00001   0.00030  -0.00010   0.00019   2.07445
   A56        2.07333   0.00001  -0.00005   0.00011   0.00007   2.07340
   A57        2.13539   0.00000  -0.00025  -0.00001  -0.00026   2.13513
   A58        2.12403  -0.00000  -0.00016   0.00005  -0.00012   2.12391
   A59        2.08775   0.00002   0.00032  -0.00006   0.00026   2.08802
   A60        2.07117  -0.00001  -0.00017   0.00002  -0.00015   2.07102
   A61        2.09004   0.00002  -0.00001   0.00005   0.00005   2.09009
   A62        2.08157  -0.00003  -0.00007  -0.00004  -0.00012   2.08145
   A63        2.11141   0.00001   0.00008  -0.00001   0.00007   2.11148
   A64        2.09411  -0.00001   0.00017  -0.00012   0.00004   2.09414
   A65        2.06371  -0.00000   0.00002  -0.00004  -0.00001   2.06370
   A66        2.12522   0.00001  -0.00019   0.00016  -0.00003   2.12520
   A67        2.19405   0.00001   0.00004   0.00003   0.00006   2.19411
   A68        2.19876  -0.00000  -0.00003  -0.00002  -0.00005   2.19871
   A69        1.89037  -0.00000  -0.00001  -0.00001  -0.00002   1.89035
   A70        2.19430  -0.00002  -0.00002  -0.00010  -0.00012   2.19418
   A71        2.19975   0.00000  -0.00004   0.00009   0.00005   2.19980
   A72        1.88909   0.00002   0.00006   0.00001   0.00007   1.88917
   A73        2.20005  -0.00000   0.00004  -0.00003   0.00001   2.20006
   A74        2.19312  -0.00000  -0.00000   0.00001   0.00001   2.19313
   A75        1.89001   0.00000  -0.00004   0.00002  -0.00002   1.88998
   A76        1.89882   0.00000  -0.00003   0.00003   0.00000   1.89882
   A77        2.26304  -0.00001  -0.00001  -0.00009  -0.00011   2.26294
   A78        2.12021   0.00001   0.00005   0.00007   0.00012   2.12033
   A79        1.86899  -0.00001  -0.00001  -0.00003  -0.00004   1.86895
   A80        2.08886  -0.00001  -0.00008  -0.00002  -0.00010   2.08877
   A81        2.32522   0.00002   0.00008   0.00005   0.00013   2.32535
   A82        1.86881  -0.00002  -0.00005  -0.00001  -0.00005   1.86876
   A83        2.32554   0.00002   0.00011  -0.00001   0.00010   2.32564
   A84        2.08868  -0.00000  -0.00007   0.00001  -0.00005   2.08862
   A85        1.89905   0.00000   0.00002  -0.00001   0.00002   1.89906
   A86        2.26391   0.00000  -0.00004   0.00002  -0.00002   2.26388
   A87        2.11900  -0.00000   0.00003  -0.00001   0.00002   2.11902
   A88        1.89982  -0.00000   0.00001  -0.00001   0.00001   1.89982
   A89        2.26153  -0.00000   0.00001  -0.00003  -0.00002   2.26151
   A90        2.12102   0.00000  -0.00003   0.00003  -0.00000   2.12102
   A91        1.86750   0.00000  -0.00002   0.00002   0.00000   1.86751
   A92        2.08726  -0.00000  -0.00001   0.00001  -0.00001   2.08726
   A93        2.32833  -0.00000   0.00002  -0.00002  -0.00000   2.32832
   A94        1.86776  -0.00000  -0.00001   0.00000  -0.00001   1.86775
   A95        2.32790   0.00000   0.00004  -0.00002   0.00002   2.32792
   A96        2.08744  -0.00000  -0.00003   0.00001  -0.00002   2.08743
   A97        1.89932   0.00000   0.00002  -0.00000   0.00002   1.89934
   A98        2.26246  -0.00001  -0.00004  -0.00001  -0.00005   2.26241
   A99        2.12062   0.00000   0.00001   0.00001   0.00002   2.12064
   A100       1.89814   0.00000   0.00002  -0.00000   0.00002   1.89816
   A101       2.26367  -0.00001  -0.00002  -0.00004  -0.00006   2.26361
   A102       2.12040   0.00000  -0.00001   0.00005   0.00003   2.12044
   A103       1.86910  -0.00000  -0.00001  -0.00001  -0.00001   1.86908
   A104       2.08813  -0.00000  -0.00002  -0.00001  -0.00003   2.08810
   A105       2.32587   0.00001   0.00002   0.00002   0.00003   2.32590
   A106       1.86837  -0.00000   0.00000  -0.00001  -0.00001   1.86836
   A107       2.32684   0.00001   0.00000   0.00002   0.00002   2.32686
   A108       2.08785  -0.00000  -0.00002  -0.00001  -0.00002   2.08783
   A109       1.89914   0.00000   0.00002  -0.00000   0.00002   1.89916
   A110       2.26199  -0.00001  -0.00000  -0.00004  -0.00004   2.26195
   A111       2.12103   0.00001  -0.00003   0.00004   0.00001   2.12105
   A112       2.07954   0.00000   0.00006  -0.00002   0.00004   2.07958
   A113       2.09995  -0.00001  -0.00017   0.00007  -0.00010   2.09985
   A114       2.10367   0.00000   0.00011  -0.00005   0.00006   2.10373
   A115       2.10331   0.00000  -0.00002   0.00002   0.00000   2.10332
   A116       2.09211   0.00001   0.00011  -0.00004   0.00007   2.09218
   A117       2.08772  -0.00001  -0.00009   0.00002  -0.00007   2.08765
   A118       2.11939   0.00000   0.00004  -0.00003   0.00001   2.11940
   A119       2.08647  -0.00000  -0.00001  -0.00002  -0.00003   2.08644
   A120       2.07732  -0.00000  -0.00003   0.00005   0.00002   2.07733
   A121       2.05603  -0.00000  -0.00002   0.00002  -0.00001   2.05603
   A122       2.12253  -0.00001  -0.00008  -0.00002  -0.00010   2.12243
   A123       2.10452   0.00001   0.00011   0.00000   0.00011   2.10463
   A124       2.05449  -0.00001  -0.00004  -0.00002  -0.00006   2.05442
   A125       2.12483  -0.00001  -0.00005  -0.00003  -0.00008   2.12475
   A126       2.10385   0.00001   0.00010   0.00005   0.00014   2.10399
   A127       2.12022   0.00000   0.00005  -0.00004   0.00001   2.12023
   A128       2.07627   0.00000  -0.00002   0.00004   0.00002   2.07629
   A129       2.08669  -0.00000  -0.00003   0.00001  -0.00002   2.08667
   A130       2.10357   0.00000  -0.00002   0.00004   0.00003   2.10360
   A131       2.08756  -0.00001  -0.00010   0.00001  -0.00009   2.08747
   A132       2.09203   0.00000   0.00011  -0.00005   0.00006   2.09209
   A133       2.07865   0.00000   0.00005  -0.00003   0.00002   2.07868
   A134       2.10035  -0.00001  -0.00017   0.00008  -0.00009   2.10026
   A135       2.10416   0.00001   0.00012  -0.00005   0.00007   2.10423
   A136       2.07950   0.00000   0.00005  -0.00003   0.00001   2.07951
   A137       2.10020  -0.00001  -0.00020   0.00010  -0.00010   2.10010
   A138       2.10347   0.00001   0.00016  -0.00007   0.00009   2.10356
   A139       2.10385   0.00000  -0.00005   0.00005  -0.00001   2.10384
   A140       2.09200   0.00000   0.00017  -0.00009   0.00008   2.09208
   A141       2.08732  -0.00001  -0.00012   0.00004  -0.00007   2.08724
   A142       2.11956   0.00000   0.00006  -0.00005   0.00001   2.11958
   A143       2.08601   0.00000  -0.00001   0.00000  -0.00001   2.08600
   A144       2.07761  -0.00000  -0.00005   0.00005  -0.00001   2.07761
   A145       2.05514  -0.00000  -0.00003   0.00001  -0.00002   2.05511
   A146       2.12125  -0.00000  -0.00003  -0.00000  -0.00004   2.12121
   A147       2.10675   0.00001   0.00007  -0.00001   0.00006   2.10681
   A148       2.05482  -0.00000  -0.00002   0.00000  -0.00002   2.05480
   A149       2.12119  -0.00000  -0.00001  -0.00001  -0.00002   2.12117
   A150       2.10713   0.00000   0.00003   0.00000   0.00003   2.10717
   A151       2.11957   0.00000   0.00007  -0.00005   0.00002   2.11960
   A152       2.07777  -0.00000  -0.00005   0.00004  -0.00002   2.07775
   A153       2.08584   0.00000  -0.00002   0.00002  -0.00000   2.08583
   A154       2.10396  -0.00000  -0.00007   0.00005  -0.00002   2.10394
   A155       2.08736  -0.00001  -0.00010   0.00004  -0.00007   2.08730
   A156       2.09184   0.00001   0.00017  -0.00009   0.00009   2.09193
   A157       2.07946   0.00000   0.00006  -0.00004   0.00002   2.07947
   A158       2.10030  -0.00001  -0.00020   0.00008  -0.00011   2.10019
   A159       2.10341   0.00001   0.00014  -0.00004   0.00010   2.10350
   A160       2.07899   0.00000   0.00006  -0.00003   0.00002   2.07901
   A161       2.10048  -0.00001  -0.00017   0.00007  -0.00010   2.10038
   A162       2.10370   0.00001   0.00011  -0.00004   0.00007   2.10377
   A163       2.10409   0.00000  -0.00005   0.00004  -0.00001   2.10408
   A164       2.09178   0.00001   0.00013  -0.00006   0.00007   2.09185
   A165       2.08727  -0.00001  -0.00008   0.00002  -0.00006   2.08721
   A166       2.11951   0.00000   0.00005  -0.00004   0.00001   2.11952
   A167       2.08659  -0.00000  -0.00002   0.00000  -0.00002   2.08657
   A168       2.07706   0.00000  -0.00003   0.00004   0.00001   2.07707
   A169       2.05446  -0.00000  -0.00001  -0.00000  -0.00001   2.05445
   A170       2.12488  -0.00000  -0.00006  -0.00002  -0.00008   2.12480
   A171       2.10379   0.00001   0.00006   0.00002   0.00009   2.10388
   A172       2.05507  -0.00000  -0.00002  -0.00001  -0.00003   2.05504
   A173       2.12243  -0.00000  -0.00002  -0.00002  -0.00004   2.12238
   A174       2.10565   0.00001   0.00004   0.00003   0.00007   2.10572
   A175       2.11977   0.00000   0.00005  -0.00004   0.00001   2.11979
   A176       2.07721   0.00000  -0.00004   0.00004  -0.00001   2.07721
   A177       2.08620  -0.00000  -0.00001   0.00000  -0.00001   2.08619
   A178       2.10352   0.00000  -0.00004   0.00004  -0.00000   2.10352
   A179       2.08766  -0.00001  -0.00008   0.00002  -0.00006   2.08760
   A180       2.09199   0.00000   0.00012  -0.00006   0.00006   2.09205
   A181       2.07923   0.00000   0.00005  -0.00003   0.00002   2.07925
   A182       2.10013  -0.00001  -0.00016   0.00008  -0.00008   2.10005
   A183       2.10380   0.00000   0.00011  -0.00005   0.00007   2.10387
    D1        0.01270   0.00000   0.00024  -0.00009   0.00015   0.01285
    D2       -3.10617   0.00000   0.00055   0.00001   0.00056  -3.10561
    D3       -3.12740  -0.00000   0.00002  -0.00001   0.00001  -3.12739
    D4        0.03692   0.00000   0.00033   0.00009   0.00042   0.03734
    D5        0.00694   0.00000   0.00012   0.00015   0.00028   0.00722
    D6       -3.11614   0.00000  -0.00040   0.00030  -0.00009  -3.11624
    D7       -3.13615   0.00000   0.00034   0.00008   0.00042  -3.13573
    D8        0.02396   0.00000  -0.00018   0.00022   0.00005   0.02400
    D9       -2.26362  -0.00001   0.00000  -0.00020  -0.00020  -2.26382
   D10        0.88377  -0.00001  -0.00025  -0.00019  -0.00043   0.88334
   D11        0.87947  -0.00001  -0.00022  -0.00012  -0.00034   0.87913
   D12       -2.25632  -0.00001  -0.00047  -0.00011  -0.00057  -2.25689
   D13       -0.02370  -0.00000  -0.00048  -0.00005  -0.00053  -0.02423
   D14        3.13697  -0.00000   0.00043  -0.00017   0.00026   3.13723
   D15        3.09444  -0.00001  -0.00080  -0.00015  -0.00095   3.09349
   D16       -0.02807  -0.00001   0.00012  -0.00028  -0.00016  -0.02824
   D17        0.01549   0.00000   0.00037   0.00013   0.00050   0.01599
   D18       -3.12700   0.00001   0.00106   0.00002   0.00108  -3.12591
   D19        3.13848   0.00000  -0.00053   0.00025  -0.00027   3.13821
   D20       -0.00401   0.00001   0.00017   0.00014   0.00031  -0.00370
   D21        3.12220  -0.00003  -0.00329  -0.00015  -0.00344   3.11876
   D22       -0.03441  -0.00003  -0.00275  -0.00002  -0.00277  -0.03717
   D23       -0.00003  -0.00003  -0.00236  -0.00028  -0.00264  -0.00267
   D24        3.12655  -0.00002  -0.00182  -0.00014  -0.00196   3.12458
   D25        0.00359  -0.00000  -0.00002  -0.00007  -0.00009   0.00350
   D26        3.12763  -0.00000   0.00006  -0.00014  -0.00008   3.12755
   D27       -3.13712  -0.00001  -0.00071   0.00004  -0.00067  -3.13779
   D28       -0.01307  -0.00001  -0.00063  -0.00003  -0.00066  -0.01374
   D29        0.00167   0.00001   0.00094  -0.00002   0.00092   0.00259
   D30       -3.13894   0.00001   0.00067   0.00024   0.00093  -3.13801
   D31       -3.14082   0.00002   0.00163  -0.00013   0.00150  -3.13932
   D32        0.00176   0.00002   0.00137   0.00013   0.00151   0.00327
   D33       -0.01498  -0.00000  -0.00024  -0.00007  -0.00030  -0.01528
   D34        3.10792  -0.00000   0.00029  -0.00022   0.00007   3.10799
   D35       -3.13860  -0.00000  -0.00031  -0.00001  -0.00031  -3.13891
   D36       -0.01570  -0.00000   0.00021  -0.00015   0.00006  -0.01564
   D37        0.00635   0.00003   0.00336   0.00029   0.00365   0.01000
   D38       -3.13615   0.00002   0.00242   0.00045   0.00287  -3.13328
   D39       -3.12061   0.00002   0.00283   0.00015   0.00298  -3.11763
   D40        0.02007   0.00001   0.00189   0.00032   0.00221   0.02228
   D41        3.13370  -0.00001  -0.00185  -0.00025  -0.00210   3.13161
   D42       -0.03857  -0.00002  -0.00207  -0.00017  -0.00223  -0.04080
   D43       -0.02256  -0.00001  -0.00132  -0.00012  -0.00144  -0.02400
   D44        3.08835  -0.00001  -0.00154  -0.00003  -0.00157   3.08678
   D45       -0.00871  -0.00001  -0.00224  -0.00016  -0.00240  -0.01110
   D46        3.13093  -0.00002  -0.00223  -0.00061  -0.00284   3.12809
   D47        3.13382   0.00000  -0.00127  -0.00033  -0.00160   3.13222
   D48       -0.00973  -0.00001  -0.00126  -0.00078  -0.00204  -0.01177
   D49       -0.00318  -0.00001  -0.00115  -0.00024  -0.00139  -0.00457
   D50        3.12316  -0.00001  -0.00035  -0.00054  -0.00089   3.12226
   D51        3.13748  -0.00002  -0.00212  -0.00007  -0.00219   3.13529
   D52       -0.01937  -0.00002  -0.00133  -0.00037  -0.00169  -0.02106
   D53        0.00476  -0.00001   0.00009   0.00003   0.00012   0.00487
   D54       -3.13787  -0.00001   0.00037  -0.00024   0.00011  -3.13776
   D55       -3.13498  -0.00000   0.00008   0.00046   0.00054  -3.13444
   D56        0.00558  -0.00000   0.00036   0.00019   0.00053   0.00611
   D57        3.13634   0.00000  -0.00077   0.00006  -0.00070   3.13563
   D58       -0.01989  -0.00003  -0.00659   0.00019  -0.00640  -0.02628
   D59       -0.02972   0.00003  -0.00733   0.00053  -0.00688  -0.03659
   D60       -0.00715  -0.00001  -0.00076  -0.00037  -0.00114  -0.00828
   D61        3.11981  -0.00004  -0.00658  -0.00024  -0.00683   3.11298
   D62        3.10999   0.00002  -0.00732   0.00009  -0.00731   3.10268
   D63        3.13868   0.00001   0.00069  -0.00020   0.00048   3.13916
   D64       -0.00190   0.00000   0.00042   0.00007   0.00049  -0.00141
   D65        0.00767  -0.00000  -0.00004  -0.00016  -0.00020   0.00747
   D66       -3.13482  -0.00000   0.00002  -0.00012  -0.00010  -3.13492
   D67       -3.10404   0.00000   0.00018  -0.00025  -0.00007  -3.10411
   D68        0.03665   0.00000   0.00024  -0.00021   0.00003   0.03668
   D69        0.00997   0.00001   0.00083   0.00024   0.00108   0.01105
   D70       -3.10697   0.00000   0.00037   0.00005   0.00042  -3.10654
   D71       -3.13072   0.00001   0.00077   0.00020   0.00097  -3.12974
   D72        0.03553   0.00000   0.00031   0.00001   0.00032   0.03585
   D73       -2.31345   0.00002   0.00069   0.00028   0.00097  -2.31248
   D74        0.81701   0.00002   0.00133   0.00037   0.00170   0.81870
   D75        0.82723   0.00002   0.00075   0.00032   0.00107   0.82830
   D76       -2.32550   0.00002   0.00139   0.00041   0.00180  -2.32370
   D77       -0.01207  -0.00000  -0.00023  -0.00004  -0.00027  -0.01234
   D78       -3.13880  -0.00000  -0.00100   0.00025  -0.00075  -3.13955
   D79        3.10497   0.00000   0.00023   0.00014   0.00038   3.10535
   D80       -0.02176   0.00001  -0.00054   0.00043  -0.00010  -0.02186
   D81        0.00513   0.00001   0.00041   0.00030   0.00072   0.00586
   D82       -3.14018   0.00000   0.00023   0.00031   0.00057  -3.13961
   D83       -3.12325   0.00004   0.00569   0.00018   0.00587  -3.11737
   D84        0.01463   0.00004   0.00551   0.00020   0.00572   0.02034
   D85       -3.11692  -0.00001   0.00587  -0.00008   0.00570  -3.11123
   D86        0.02095  -0.00001   0.00569  -0.00006   0.00554   0.02649
   D87       -0.00114  -0.00000   0.00038  -0.00002   0.00035  -0.00079
   D88       -3.12606  -0.00000   0.00029  -0.00016   0.00013  -3.12593
   D89       -3.13907  -0.00000   0.00056  -0.00004   0.00050  -3.13857
   D90        0.01920   0.00000   0.00047  -0.00018   0.00028   0.01948
   D91       -3.14038   0.00000  -0.00033   0.00013  -0.00020  -3.14058
   D92       -0.02043   0.00001  -0.00023   0.00008  -0.00015  -0.02058
   D93       -0.00258  -0.00000  -0.00052   0.00015  -0.00036  -0.00294
   D94        3.11737   0.00001  -0.00041   0.00010  -0.00031   3.11706
   D95       -0.00033  -0.00000  -0.00078  -0.00015  -0.00093  -0.00126
   D96        3.12455  -0.00000  -0.00069  -0.00001  -0.00071   3.12383
   D97       -0.01950   0.00000  -0.00008   0.00006  -0.00001  -0.01951
   D98        3.10387   0.00000  -0.00021   0.00016  -0.00005   3.10382
   D99        3.13858   0.00000  -0.00016  -0.00007  -0.00022   3.13835
   D100      -0.02124   0.00000  -0.00030   0.00002  -0.00026  -0.02151
   D101      -0.01387   0.00000   0.00018  -0.00001   0.00016  -0.01370
   D102       3.10389   0.00000  -0.00008   0.00012   0.00003   3.10392
   D103      -3.13300  -0.00001   0.00006   0.00004   0.00011  -3.13290
   D104      -0.01525  -0.00001  -0.00020   0.00017  -0.00003  -0.01528
   D105       0.01363   0.00000   0.00021  -0.00010   0.00011   0.01374
   D106       3.13620   0.00000   0.00023  -0.00017   0.00007   3.13627
   D107      -3.10434  -0.00000   0.00047  -0.00023   0.00024  -3.10410
   D108       0.01823   0.00000   0.00048  -0.00029   0.00019   0.01842
   D109       0.00353  -0.00000  -0.00026   0.00007  -0.00019   0.00335
   D110      -3.11917  -0.00000  -0.00013  -0.00003  -0.00015  -3.11932
   D111      -3.11871  -0.00000  -0.00028   0.00014  -0.00014  -3.11884
   D112       0.04177   0.00000  -0.00014   0.00004  -0.00010   0.04168
   D113      -2.28512   0.00001   0.00009   0.00032   0.00040  -2.28472
   D114       0.85157   0.00000  -0.00016   0.00023   0.00007   0.85164
   D115       0.83721   0.00001   0.00010   0.00025   0.00036   0.83756
   D116      -2.30928   0.00000  -0.00014   0.00016   0.00002  -2.30926
   D117      -3.13765  -0.00000  -0.00011  -0.00001  -0.00012  -3.13777
   D118       0.04762   0.00000   0.00007   0.00010   0.00017   0.04780
   D119      -0.00100   0.00000   0.00011  -0.00002   0.00008  -0.00092
   D120      -3.09892   0.00001   0.00029   0.00009   0.00037  -3.09854
   D121       3.13521   0.00000   0.00013   0.00002   0.00015   3.13536
   D122       0.03647   0.00001   0.00038   0.00009   0.00047   0.03694
   D123      -0.00142  -0.00000  -0.00008   0.00003  -0.00005  -0.00147
   D124      -3.10016   0.00000   0.00017   0.00010   0.00027  -3.09989
   D125       3.12919   0.00000   0.00050   0.00001   0.00051   3.12970
   D126       0.03865  -0.00000   0.00019  -0.00003   0.00016   0.03881
   D127      -0.00292  -0.00000  -0.00004  -0.00006  -0.00011  -0.00303
   D128      -3.09346  -0.00001  -0.00035  -0.00011  -0.00046  -3.09393
   D129      -3.13239  -0.00000  -0.00046  -0.00002  -0.00048  -3.13287
   D130       0.06297  -0.00001  -0.00072  -0.00012  -0.00084   0.06213
   D131      -0.00031   0.00000   0.00008   0.00005   0.00014  -0.00017
   D132      -3.08814  -0.00000  -0.00018  -0.00004  -0.00022  -3.08836
   D133       3.12941  -0.00000  -0.00015  -0.00007  -0.00021   3.12919
   D134       0.03557  -0.00000   0.00003  -0.00007  -0.00004   0.03552
   D135      -0.00800   0.00000   0.00006   0.00001   0.00007  -0.00792
   D136      -3.10183   0.00000   0.00023   0.00001   0.00024  -3.10159
   D137      -3.13226   0.00000   0.00018   0.00006   0.00024  -3.13202
   D138       0.05815   0.00000   0.00035   0.00003   0.00039   0.05854
   D139       0.00516  -0.00000  -0.00003  -0.00002  -0.00004   0.00512
   D140      -3.08761  -0.00000   0.00015  -0.00005   0.00010  -3.08751
   D141       0.00492   0.00000  -0.00001   0.00005   0.00004   0.00496
   D142      -3.12256   0.00000   0.00052  -0.00011   0.00041  -3.12215
   D143       3.10044   0.00001   0.00027   0.00008   0.00035   3.10078
   D144      -0.02705   0.00001   0.00079  -0.00007   0.00072  -0.02633
   D145       3.11223  -0.00000  -0.00027   0.00009  -0.00018   3.11206
   D146      -0.02295   0.00000  -0.00045   0.00024  -0.00021  -0.02316
   D147       0.02731  -0.00001  -0.00061   0.00004  -0.00056   0.02675
   D148      -3.10787  -0.00001  -0.00079   0.00019  -0.00060  -3.10846
   D149      -0.00504   0.00000   0.00006  -0.00002   0.00005  -0.00499
   D150       3.11731  -0.00000  -0.00052   0.00011  -0.00041   3.11690
   D151       3.11973  -0.00000  -0.00057   0.00017  -0.00040   3.11933
   D152      -0.04110  -0.00001  -0.00115   0.00029  -0.00086  -0.04196
   D153       0.00764  -0.00000  -0.00047   0.00005  -0.00042   0.00722
   D154      -3.14038  -0.00000  -0.00016   0.00004  -0.00012  -3.14050
   D155      -3.11545  -0.00000   0.00023  -0.00015   0.00008  -3.11537
   D156       0.01972   0.00000   0.00053  -0.00016   0.00037   0.02009
   D157       0.00332  -0.00000  -0.00009  -0.00002  -0.00011   0.00321
   D158       3.09645   0.00000   0.00014   0.00006   0.00021   3.09666
   D159      -3.12214   0.00000   0.00039  -0.00013   0.00027  -3.12188
   D160      -0.02901   0.00001   0.00063  -0.00004   0.00059  -0.02842
   D161      -3.11213   0.00000   0.00025  -0.00009   0.00016  -3.11197
   D162       0.02133   0.00000   0.00053  -0.00013   0.00040   0.02173
   D163       0.00829  -0.00000  -0.00039   0.00005  -0.00034   0.00795
   D164      -3.14143  -0.00000  -0.00011   0.00000  -0.00010  -3.14153
   D165       3.11041  -0.00000  -0.00020   0.00012  -0.00008   3.11033
   D166      -0.01604   0.00000  -0.00016   0.00012  -0.00004  -0.01609
   D167       0.02845  -0.00001  -0.00048   0.00001  -0.00047   0.02798
   D168      -3.09800  -0.00000  -0.00045   0.00002  -0.00044  -3.09844
   D169       0.00296  -0.00000  -0.00009   0.00001  -0.00008   0.00288
   D170      -3.12599   0.00001   0.00042   0.00006   0.00048  -3.12551
   D171       3.10506  -0.00001  -0.00026  -0.00009  -0.00035   3.10471
   D172      -0.02390   0.00000   0.00026  -0.00004   0.00022  -0.02368
   D173       3.11670  -0.00001  -0.00035  -0.00005  -0.00040   3.11630
   D174      -0.01525  -0.00000  -0.00036  -0.00001  -0.00036  -0.01561
   D175       0.02360  -0.00000  -0.00015   0.00008  -0.00007   0.02353
   D176      -3.10834   0.00000  -0.00016   0.00012  -0.00004  -3.10838
   D177      -0.00377   0.00000   0.00004   0.00001   0.00005  -0.00372
   D178       3.12322  -0.00001  -0.00051  -0.00007  -0.00058   3.12264
   D179       3.12270  -0.00001  -0.00057  -0.00005  -0.00062   3.12207
   D180      -0.03350  -0.00002  -0.00113  -0.00013  -0.00126  -0.03475
   D181       0.00706  -0.00000  -0.00022  -0.00002  -0.00024   0.00682
   D182      -3.14106  -0.00000  -0.00006  -0.00002  -0.00009  -3.14115
   D183      -3.11790   0.00001   0.00046   0.00005   0.00051  -3.11739
   D184       0.01717   0.00001   0.00061   0.00004   0.00066   0.01783
   D185       0.00321  -0.00000   0.00002  -0.00003  -0.00001   0.00321
   D186       3.10610  -0.00001  -0.00021  -0.00009  -0.00030   3.10581
   D187      -3.12618   0.00001   0.00048   0.00004   0.00053  -3.12565
   D188      -0.02329   0.00000   0.00025  -0.00002   0.00023  -0.02305
   D189      -3.11839   0.00001   0.00040   0.00006   0.00046  -3.11793
   D190       0.01709   0.00001   0.00056   0.00006   0.00062   0.01771
   D191       0.00715  -0.00000  -0.00021  -0.00004  -0.00024   0.00691
   D192      -3.14056  -0.00000  -0.00005  -0.00003  -0.00008  -3.14064
   D193       3.11637  -0.00001  -0.00042  -0.00002  -0.00044   3.11593
   D194      -0.01488  -0.00000  -0.00046   0.00004  -0.00043  -0.01531
   D195       0.02235  -0.00000  -0.00014   0.00006  -0.00009   0.02226
   D196      -3.10890   0.00000  -0.00019   0.00011  -0.00007  -3.10897
   D197       0.00765  -0.00000  -0.00006  -0.00001  -0.00007   0.00757
   D198      -3.12120   0.00001   0.00048   0.00002   0.00050  -3.12070
   D199       3.10615  -0.00000  -0.00022  -0.00000  -0.00023   3.10592
   D200      -0.02269   0.00000   0.00032   0.00003   0.00034  -0.02235
   D201       3.10935  -0.00000  -0.00039   0.00000  -0.00039   3.10896
   D202      -0.02228  -0.00000  -0.00036  -0.00000  -0.00036  -0.02265
   D203       0.02079  -0.00000  -0.00020  -0.00000  -0.00020   0.02059
   D204      -3.11084  -0.00000  -0.00016  -0.00001  -0.00017  -3.11101
   D205      -0.00442   0.00000   0.00005  -0.00000   0.00004  -0.00438
   D206       3.11926  -0.00001  -0.00065   0.00005  -0.00060   3.11866
   D207       3.12195  -0.00001  -0.00060  -0.00004  -0.00064   3.12131
   D208      -0.03756  -0.00002  -0.00130   0.00002  -0.00128  -0.03883
   D209       0.00742  -0.00000  -0.00026  -0.00002  -0.00028   0.00714
   D210      -3.14123  -0.00000  -0.00011  -0.00001  -0.00012  -3.14135
   D211      -3.11744   0.00001   0.00046   0.00002   0.00047  -3.11696
   D212       0.01710   0.00001   0.00060   0.00003   0.00063   0.01773
   D213      -0.00042   0.00000  -0.00001   0.00001   0.00000  -0.00042
   D214       3.09705  -0.00000  -0.00017   0.00004  -0.00013   3.09692
   D215      -3.12702   0.00001   0.00057  -0.00004   0.00053  -3.12648
   D216      -0.02955   0.00001   0.00041  -0.00001   0.00040  -0.02915
   D217      -3.11411   0.00000   0.00046  -0.00006   0.00040  -3.11371
   D218       0.02033   0.00001   0.00067  -0.00008   0.00060   0.02093
   D219       0.00778  -0.00000  -0.00031   0.00000  -0.00031   0.00747
   D220      -3.14097  -0.00000  -0.00009  -0.00001  -0.00010  -3.14107
   D221       3.11814  -0.00000  -0.00046   0.00006  -0.00040   3.11773
   D222      -0.01173  -0.00000  -0.00056   0.00010  -0.00047  -0.01220
   D223       0.03076  -0.00000  -0.00026   0.00002  -0.00024   0.03052
   D224      -3.09911  -0.00000  -0.00037   0.00006  -0.00031  -3.09941
   D225       0.01168  -0.00000   0.00003  -0.00003  -0.00000   0.01168
   D226      -3.13932  -0.00000  -0.00003  -0.00003  -0.00006  -3.13938
   D227      -3.12176  -0.00000  -0.00025   0.00001  -0.00024  -3.12200
   D228       0.01042  -0.00000  -0.00031   0.00002  -0.00029   0.01013
   D229      -0.01198   0.00000   0.00011   0.00001   0.00011  -0.01187
   D230       3.12444   0.00000   0.00022   0.00005   0.00027   3.12471
   D231       3.13900   0.00000   0.00017   0.00000   0.00017   3.13916
   D232      -0.00777   0.00001   0.00028   0.00005   0.00033  -0.00744
   D233      -0.00808   0.00000   0.00012   0.00000   0.00012  -0.00796
   D234       3.11853   0.00000   0.00009  -0.00000   0.00009   3.11862
   D235       3.13865  -0.00000   0.00001  -0.00004  -0.00004   3.13862
   D236      -0.01792  -0.00000  -0.00003  -0.00004  -0.00007  -0.01799
   D237      -0.00907   0.00000   0.00012   0.00001   0.00012  -0.00895
   D238       3.13510  -0.00000   0.00006  -0.00003   0.00003   3.13513
   D239       3.12619   0.00000   0.00030  -0.00014   0.00016   3.12635
   D240      -0.01283  -0.00000   0.00024  -0.00018   0.00006  -0.01276
   D241      -0.00966   0.00000   0.00019  -0.00002   0.00017  -0.00949
   D242       3.13849   0.00000   0.00030  -0.00001   0.00029   3.13878
   D243       3.12934   0.00000   0.00025   0.00001   0.00026   3.12960
   D244      -0.00569   0.00001   0.00035   0.00003   0.00038  -0.00531
   D245       0.01023  -0.00000  -0.00001  -0.00000  -0.00002   0.01022
   D246      -3.12492  -0.00000  -0.00032   0.00000  -0.00032  -3.12523
   D247      -3.13794  -0.00000  -0.00012  -0.00002  -0.00014  -3.13808
   D248       0.01010  -0.00001  -0.00042  -0.00001  -0.00044   0.00966
   D249       0.00885   0.00000   0.00006   0.00005   0.00011   0.00896
   D250      -3.13904   0.00000   0.00002   0.00001   0.00003  -3.13901
   D251      -3.12661  -0.00000  -0.00010   0.00005  -0.00005  -3.12666
   D252       0.00869  -0.00000  -0.00013   0.00000  -0.00013   0.00855
   D253      -0.00960  -0.00000   0.00005  -0.00002   0.00004  -0.00957
   D254       3.12900   0.00000   0.00010  -0.00003   0.00008   3.12907
   D255       3.13827   0.00000   0.00009   0.00003   0.00012   3.13839
   D256      -0.00632   0.00000   0.00014   0.00002   0.00016  -0.00616
   D257      -0.00599  -0.00000  -0.00001  -0.00004  -0.00005  -0.00604
   D258       3.12535  -0.00000   0.00003  -0.00010  -0.00006   3.12529
   D259       3.13858  -0.00000  -0.00006  -0.00003  -0.00009   3.13849
   D260      -0.01326  -0.00000  -0.00002  -0.00008  -0.00011  -0.01337
   D261      -0.00723  -0.00000   0.00000  -0.00005  -0.00005  -0.00728
   D262       3.13903  -0.00000  -0.00006  -0.00003  -0.00009   3.13894
   D263       3.12480  -0.00000   0.00001  -0.00009  -0.00008   3.12472
   D264      -0.01213  -0.00000  -0.00005  -0.00008  -0.00013  -0.01225
   D265      -0.00902  -0.00000   0.00004  -0.00001   0.00002  -0.00900
   D266       3.13982   0.00000   0.00007   0.00005   0.00011   3.13993
   D267       3.12788   0.00000   0.00010  -0.00003   0.00007   3.12795
   D268      -0.00646   0.00000   0.00013   0.00003   0.00016  -0.00630
   D269       0.00896   0.00000   0.00007   0.00005   0.00012   0.00908
   D270      -3.12610   0.00000  -0.00008   0.00005  -0.00003  -3.12613
   D271      -3.13990   0.00000   0.00004  -0.00001   0.00003  -3.13987
   D272       0.00823  -0.00000  -0.00011  -0.00001  -0.00012   0.00811
   D273       0.01137   0.00000   0.00007  -0.00000   0.00007   0.01143
   D274      -3.13944  -0.00000  -0.00002  -0.00002  -0.00004  -3.13947
   D275      -3.12306  -0.00000  -0.00014   0.00001  -0.00013  -3.12319
   D276       0.00933  -0.00000  -0.00023  -0.00001  -0.00024   0.00909
   D277      -0.00979   0.00000   0.00008   0.00001   0.00009  -0.00970
   D278       3.12547   0.00000   0.00011   0.00003   0.00014   3.12561
   D279       3.14099   0.00000   0.00016   0.00003   0.00019   3.14119
   D280      -0.00694   0.00000   0.00020   0.00005   0.00025  -0.00669
   D281      -0.01120   0.00000   0.00002  -0.00002  -0.00000  -0.01120
   D282       3.11882   0.00000   0.00012  -0.00006   0.00006   3.11888
   D283       3.13670  -0.00000  -0.00002  -0.00004  -0.00006   3.13665
   D284      -0.01647  -0.00000   0.00009  -0.00008   0.00001  -0.01646
   D285      -0.00430   0.00000   0.00002  -0.00002  -0.00000  -0.00430
   D286       3.13982  -0.00000  -0.00003  -0.00002  -0.00006   3.13976
   D287       3.12743  -0.00000  -0.00001  -0.00002  -0.00003   3.12740
   D288      -0.01163  -0.00000  -0.00006  -0.00002  -0.00008  -0.01172
   D289      -0.01048   0.00000   0.00004   0.00003   0.00006  -0.01042
   D290       3.13773   0.00000   0.00011   0.00002   0.00014   3.13787
   D291       3.12857   0.00000   0.00009   0.00003   0.00012   3.12869
   D292      -0.00640   0.00000   0.00016   0.00003   0.00019  -0.00621
   D293       0.00872   0.00000   0.00008  -0.00000   0.00008   0.00880
   D294      -3.12580  -0.00000  -0.00006  -0.00002  -0.00008  -3.12588
   D295      -3.13951   0.00000   0.00001  -0.00000   0.00001  -3.13950
   D296       0.00916  -0.00000  -0.00013  -0.00002  -0.00015   0.00901
         Item               Value     Threshold  Converged?
 Maximum Force            0.000328     0.000450     YES
 RMS     Force            0.000038     0.000300     YES
 Maximum Displacement     0.021160     0.001800     NO 
 RMS     Displacement     0.004020     0.001200     NO 
 Predicted change in Energy=-1.969384D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.035019    2.958695    0.093857
      2          6           0       -2.307985    1.594827    0.015701
      3          6           0       -1.276978    0.637739    0.001940
      4          6           0        0.060433    1.096134    0.039806
      5          6           0        0.326639    2.477034    0.109149
      6          6           0       -0.699159    3.400845    0.145367
      7          6           0       -1.551319   -0.806853   -0.074890
      8          6           0       -0.481304   -1.749614   -0.114841
      9          6           0        0.887113   -1.270209   -0.066248
     10          6           0        1.166567    0.144847    0.007756
     11          6           0       -2.867188   -1.291581   -0.093389
     12          6           0       -3.149481   -2.655663   -0.177649
     13          6           0       -2.087474   -3.575599   -0.237084
     14          6           0       -0.781845   -3.128287   -0.198756
     15          7           0        1.943687   -2.102897   -0.084516
     16          6           0        3.229541   -1.649420   -0.045597
     17          6           0        3.445510   -0.240970    0.023854
     18          7           0        2.403247    0.619221    0.049363
     19          6           0        4.330915   -2.539983   -0.067978
     20          6           0        5.602956   -2.022617   -0.025261
     21          6           0        5.839148   -0.614821    0.024178
     22          6           0        4.769164    0.259851    0.046199
     23          7           0       -3.094056    3.893488    0.122937
     24          7           0       -4.485130   -3.101783   -0.201639
     25          7           0        7.164816   -0.140323    0.073198
     26          6           0       -5.017176   -4.145320    0.579185
     27          6           0       -6.394771   -4.281555    0.280953
     28          6           0       -6.712878   -3.287968   -0.724264
     29          6           0       -5.519028   -2.576679   -0.998318
     30          6           0       -3.209318    5.027574   -0.697526
     31          6           0       -4.403079    5.714263   -0.364369
     32          6           0       -5.036268    4.968948    0.704207
     33          6           0       -4.207402    3.853099    0.979108
     34          6           0        7.670263    0.813152    0.976124
     35          6           0        9.047979    1.006722    0.710237
     36          6           0        9.391815    0.145792   -0.403238
     37          6           0        8.212719   -0.546217   -0.772560
     38          6           0       -7.885658   -2.964377   -1.414622
     39          6           0       -7.853313   -1.951359   -2.368427
     40          6           0       -6.656756   -1.271374   -2.645720
     41          6           0       -5.475157   -1.575085   -1.971770
     42          6           0       -4.400425   -4.932532    1.555022
     43          6           0       -5.180763   -5.885043    2.207705
     44          6           0       -6.543086   -6.046801    1.908517
     45          6           0       -7.156660   -5.244523    0.951277
     46          6           0       -6.206680    5.160184    1.446858
     47          6           0       -6.529151    4.251017    2.449761
     48          6           0       -5.686921    3.160707    2.722411
     49          6           0       -4.516197    2.947384    1.997326
     50          6           0       -2.378223    5.466447   -1.731608
     51          6           0       -2.746765    6.625259   -2.412272
     52          6           0       -3.916774    7.328372   -2.081748
     53          6           0       -4.750526    6.875272   -1.063789
     54          6           0       10.575430   -0.075957   -1.115102
     55          6           0       10.566759   -0.969635   -2.182034
     56          6           0        9.383914   -1.630681   -2.549822
     57          6           0        8.191264   -1.425436   -1.858392
     58          6           0        7.030577    1.472214    2.028603
     59          6           0        7.788501    2.351709    2.799678
     60          6           0        9.150534    2.569242    2.537097
     61          6           0        9.786322    1.896255    1.498062
     62          1           0       -3.344412    1.294059   -0.056550
     63          1           0        1.360418    2.797768    0.150230
     64          1           0       -0.486684    4.460472    0.230005
     65          1           0       -3.702406   -0.609887   -0.013306
     66          1           0       -2.290311   -4.635499   -0.335485
     67          1           0        0.014234   -3.867416   -0.248773
     68          1           0        1.862973   -3.220692   -0.113491
     69          1           0        4.139125   -3.608634   -0.097782
     70          1           0        6.454182   -2.693623   -0.006260
     71          1           0        4.910650    1.333411    0.063105
     72          1           0       -8.806901   -3.502951   -1.212732
     73          1           0       -8.756995   -1.689251   -2.909572
     74          1           0       -6.645854   -0.494425   -3.404105
     75          1           0       -4.554396   -1.056096   -2.211673
     76          1           0       -3.353690   -4.810966    1.807780
     77          1           0       -4.720703   -6.512010    2.965319
     78          1           0       -7.121665   -6.800141    2.433810
     79          1           0       -8.213826   -5.358889    0.730217
     80          1           0       -6.851089    6.010952    1.245483
     81          1           0       -7.435475    4.386766    3.031408
     82          1           0       -5.948653    2.467984    3.516505
     83          1           0       -3.866991    2.110333    2.227761
     84          1           0       -1.480723    4.924144   -2.006617
     85          1           0       -2.115036    6.986880   -3.218023
     86          1           0       -4.174320    8.228640   -2.630764
     87          1           0       -5.662586    7.411363   -0.818106
     88          1           0       11.486516    0.448054   -0.841595
     89          1           0       11.478865   -1.152183   -2.741372
     90          1           0        9.392241   -2.313171   -3.394138
     91          1           0        7.281679   -1.927448   -2.167841
     92          1           0        5.983259    1.304233    2.251030
     93          1           0        7.311565    2.876364    3.622002
     94          1           0        9.711549    3.263597    3.154594
     95          1           0       10.843246    2.053315    1.303859
     96         17           0        2.045546   -5.021386   -0.136253
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463266           0.0189121           0.0145411
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.3186318840 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000195   -0.000045   -0.000082 Ang=  -0.02 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58793947     A.U. after   10 cycles
            NFock= 10  Conv=0.51D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000028047    0.000006450    0.000002097
      2        6           0.000007446   -0.000014425    0.000008547
      3        6          -0.000012703   -0.000030891   -0.000011984
      4        6           0.000049181    0.000004529    0.000004712
      5        6          -0.000003843   -0.000004014   -0.000002514
      6        6          -0.000016432   -0.000002071   -0.000014112
      7        6           0.000011842    0.000033573    0.000018954
      8        6          -0.000048266   -0.000031709   -0.000005536
      9        6           0.000034592    0.000037609   -0.000021993
     10        6          -0.000044143   -0.000015885   -0.000012228
     11        6          -0.000020316   -0.000013149    0.000011820
     12        6           0.000121480    0.000057682    0.000010340
     13        6          -0.000038140    0.000013256   -0.000011526
     14        6          -0.000036647    0.000049100   -0.000014783
     15        7          -0.000021145   -0.000125345    0.000056228
     16        6           0.000046318   -0.000034406    0.000000173
     17        6          -0.000031150    0.000003952   -0.000011059
     18        7           0.000020757   -0.000004221    0.000010331
     19        6          -0.000042801    0.000008269   -0.000009399
     20        6           0.000011599    0.000020703    0.000012896
     21        6          -0.000065612   -0.000047799    0.000000122
     22        6           0.000024939    0.000012456   -0.000003445
     23        7          -0.000004200   -0.000000138   -0.000003030
     24        7          -0.000133772   -0.000069134   -0.000004774
     25        7           0.000070392    0.000053586    0.000002933
     26        6           0.000004102    0.000040150   -0.000004393
     27        6          -0.000009295    0.000009306    0.000010670
     28        6           0.000002898   -0.000010096   -0.000012377
     29        6           0.000045724   -0.000016992    0.000007986
     30        6          -0.000005907    0.000023486    0.000008581
     31        6           0.000018193    0.000012253   -0.000003020
     32        6          -0.000004050   -0.000021200    0.000002878
     33        6          -0.000017322   -0.000006489   -0.000009206
     34        6          -0.000001912   -0.000022660   -0.000009869
     35        6          -0.000005428    0.000004696    0.000003177
     36        6          -0.000001258   -0.000006461   -0.000004080
     37        6          -0.000012095    0.000004920    0.000007740
     38        6           0.000000985   -0.000002142    0.000011454
     39        6           0.000004136    0.000007850   -0.000002432
     40        6          -0.000002894   -0.000002061   -0.000001504
     41        6          -0.000003608    0.000000886    0.000007704
     42        6           0.000003715    0.000000416   -0.000008713
     43        6          -0.000005680   -0.000004419    0.000003915
     44        6           0.000010206    0.000000535    0.000002780
     45        6           0.000000180    0.000000922   -0.000011119
     46        6           0.000006705    0.000014007   -0.000007989
     47        6           0.000009538   -0.000012490    0.000005572
     48        6          -0.000008740    0.000004958    0.000003338
     49        6           0.000002412    0.000004388   -0.000002689
     50        6          -0.000002708   -0.000008244    0.000006252
     51        6          -0.000008969    0.000005686   -0.000003256
     52        6           0.000015029   -0.000001323   -0.000005407
     53        6          -0.000008347   -0.000012240    0.000007598
     54        6          -0.000002599    0.000005518    0.000007732
     55        6          -0.000005477   -0.000008530   -0.000003783
     56        6           0.000005514    0.000002942   -0.000003091
     57        6          -0.000002734    0.000001599    0.000007529
     58        6           0.000001351   -0.000000599   -0.000004005
     59        6           0.000003553    0.000002122    0.000001778
     60        6          -0.000010093   -0.000001023    0.000003252
     61        6           0.000005745   -0.000006973   -0.000006373
     62        1           0.000001164   -0.000000315   -0.000008592
     63        1           0.000000052   -0.000001050   -0.000000776
     64        1           0.000001501   -0.000001431    0.000006128
     65        1          -0.000004575    0.000001171    0.000001428
     66        1           0.000000020   -0.000001739    0.000000424
     67        1          -0.000015299   -0.000025409   -0.000001819
     68        1           0.000015092    0.000168507   -0.000014345
     69        1           0.000004095    0.000002590    0.000003658
     70        1           0.000000210    0.000000476   -0.000006391
     71        1          -0.000005015   -0.000001844    0.000000116
     72        1          -0.000001011    0.000000730   -0.000002271
     73        1          -0.000000892   -0.000001639   -0.000000225
     74        1          -0.000001015    0.000000729    0.000000589
     75        1           0.000003296    0.000000219    0.000000080
     76        1          -0.000003010    0.000002930    0.000001389
     77        1           0.000000238   -0.000001953   -0.000001637
     78        1          -0.000002092   -0.000000218   -0.000000159
     79        1           0.000000019   -0.000001950    0.000003113
     80        1          -0.000001828   -0.000002393    0.000002909
     81        1          -0.000002062    0.000002420   -0.000000779
     82        1          -0.000000656   -0.000000514   -0.000000864
     83        1          -0.000001782    0.000003020    0.000003038
     84        1          -0.000001655   -0.000000660   -0.000001446
     85        1           0.000000224    0.000000685    0.000001018
     86        1          -0.000002961    0.000000348    0.000000659
     87        1           0.000000953    0.000002378   -0.000002199
     88        1           0.000001171   -0.000000920   -0.000002554
     89        1           0.000000884    0.000001985    0.000000133
     90        1           0.000001257   -0.000000736    0.000000828
     91        1          -0.000001424    0.000001344   -0.000001123
     92        1           0.000000791   -0.000000837   -0.000000537
     93        1           0.000000366    0.000001165   -0.000000199
     94        1           0.000002324   -0.000000085    0.000000029
     95        1          -0.000001096    0.000002538    0.000002197
     96       17           0.000084427   -0.000060214   -0.000001221
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000168507 RMS     0.000023336

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000172464 RMS     0.000020535
 Search for a local minimum.
 Step number  23 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16   17   18
                                                     19   20   21   22   23
 DE= -2.25D-06 DEPred=-1.97D-06 R= 1.14D+00
 TightC=F SS=  1.41D+00  RLast= 2.60D-02 DXNew= 5.0454D+00 7.8074D-02
 Trust test= 1.14D+00 RLast= 2.60D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0  1  0
     Eigenvalues ---    0.00183   0.00795   0.01134   0.01592   0.02265
     Eigenvalues ---    0.02679   0.02711   0.02726   0.02735   0.02744
     Eigenvalues ---    0.02746   0.02753   0.02760   0.02769   0.02775
     Eigenvalues ---    0.02784   0.02788   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02794   0.02795   0.02805   0.02815   0.02816
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02820   0.02825
     Eigenvalues ---    0.02830   0.02833   0.02836   0.02840   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02847
     Eigenvalues ---    0.02855   0.02856   0.02858   0.02866   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02871   0.02872
     Eigenvalues ---    0.02872   0.02876   0.02876   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02879   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02886   0.02889   0.02894   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02902   0.02904
     Eigenvalues ---    0.02909   0.02911   0.02919   0.02940   0.02943
     Eigenvalues ---    0.02946   0.02972   0.03023   0.03027   0.03076
     Eigenvalues ---    0.03126   0.03127   0.03133   0.03139   0.03147
     Eigenvalues ---    0.03194   0.03304   0.03538   0.05686   0.11529
     Eigenvalues ---    0.15107   0.15713   0.15907   0.15972   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16003   0.16007   0.16030
     Eigenvalues ---    0.16051   0.16082   0.16190   0.18322   0.20722
     Eigenvalues ---    0.21887   0.21995   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22315   0.22364   0.22469   0.22540
     Eigenvalues ---    0.22600   0.22602   0.22603   0.22606   0.22641
     Eigenvalues ---    0.22763   0.23509   0.23511   0.23867   0.24064
     Eigenvalues ---    0.24470   0.24480   0.24486   0.24511   0.24520
     Eigenvalues ---    0.24621   0.24695   0.24753   0.24928   0.24963
     Eigenvalues ---    0.24965   0.24970   0.24974   0.24977   0.24996
     Eigenvalues ---    0.24998   0.25001   0.25012   0.25038   0.25041
     Eigenvalues ---    0.25142   0.25401   0.25596   0.30406   0.33238
     Eigenvalues ---    0.33242   0.33248   0.33253   0.33255   0.33256
     Eigenvalues ---    0.33285   0.33326   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33397   0.33399   0.33454   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33604   0.33689
     Eigenvalues ---    0.33846   0.33864   0.33883   0.33891   0.33903
     Eigenvalues ---    0.33907   0.33936   0.33961   0.34101   0.34340
     Eigenvalues ---    0.34779   0.35894   0.35935   0.44459   0.44473
     Eigenvalues ---    0.44663   0.45208   0.46334   0.48136   0.48817
     Eigenvalues ---    0.48921   0.48969   0.49616   0.49757   0.50153
     Eigenvalues ---    0.50219   0.50366   0.50396   0.50592   0.50612
     Eigenvalues ---    0.50675   0.50927   0.52602   0.52865   0.53083
     Eigenvalues ---    0.54044   0.54106   0.54194   0.54199   0.54211
     Eigenvalues ---    0.54339   0.54818   0.54921   0.55232   0.55410
     Eigenvalues ---    0.55510   0.55648   0.55776   0.55900   0.55935
     Eigenvalues ---    0.56052   0.56111   0.56127   0.56147   0.56218
     Eigenvalues ---    0.56367   0.56482   0.56663   0.56664   0.56665
     Eigenvalues ---    0.56675   0.56685   0.56716   0.56731   0.56880
     Eigenvalues ---    0.56914   0.56917   0.57073   0.57160   0.57161
     Eigenvalues ---    0.57167   0.57173   0.57180   0.59426   0.61663
     Eigenvalues ---    0.62978   0.65704   0.66067   0.67503   0.67690
     Eigenvalues ---    0.67747   0.68666   0.69351   0.69924   0.72682
     Eigenvalues ---    0.75157   0.76602
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    23   22   21   20   19   18   17   16   15   14
 RFO step:  Lambda=-1.03163571D-06.
 DIIS inversion failure, remove point  10.
 RFO-DIIS uses    9 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.19671    0.01509   -0.32880    0.19031   -0.11237
                  RFO-DIIS coefs:   -0.01402    0.11376   -0.07690    0.01621    0.00000
 Iteration  1 RMS(Cart)=  0.00400063 RMS(Int)=  0.00000584
 Iteration  2 RMS(Cart)=  0.00000867 RMS(Int)=  0.00000217
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000217
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63260   0.00001  -0.00001   0.00002   0.00001   2.63261
    R2        2.66087  -0.00002  -0.00003   0.00001  -0.00002   2.66086
    R3        2.66996   0.00002  -0.00001   0.00002   0.00001   2.66998
    R4        2.65853  -0.00001   0.00001  -0.00002  -0.00001   2.65852
    R5        2.04393  -0.00000  -0.00002   0.00003   0.00001   2.04394
    R6        2.67263  -0.00003  -0.00000  -0.00000  -0.00000   2.67262
    R7        2.78247  -0.00006  -0.00007  -0.00009  -0.00015   2.78232
    R8        2.66080  -0.00000  -0.00000   0.00000  -0.00000   2.66080
    R9        2.75764  -0.00005  -0.00008  -0.00001  -0.00009   2.75756
   R10        2.60960   0.00000  -0.00001   0.00001   0.00001   2.60961
   R11        2.04689  -0.00000  -0.00000  -0.00001  -0.00001   2.04689
   R12        2.04852  -0.00000   0.00000  -0.00000  -0.00000   2.04852
   R13        2.69598   0.00004   0.00011  -0.00002   0.00009   2.69607
   R14        2.65021   0.00000  -0.00000  -0.00000  -0.00001   2.65020
   R15        2.74157   0.00014   0.00000   0.00009   0.00009   2.74166
   R16        2.67121  -0.00000  -0.00000  -0.00001  -0.00002   2.67120
   R17        2.72930   0.00005   0.00006  -0.00000   0.00006   2.72936
   R18        2.54240   0.00014   0.00007   0.00003   0.00010   2.54250
   R19        2.50425  -0.00001  -0.00005   0.00005  -0.00001   2.50424
   R20        2.63717  -0.00005  -0.00004  -0.00001  -0.00005   2.63712
   R21        2.04292   0.00000  -0.00002   0.00005   0.00002   2.04295
   R22        2.65752  -0.00004  -0.00005  -0.00001  -0.00007   2.65745
   R23        2.66147   0.00010   0.00007   0.00009   0.00016   2.66163
   R24        2.60907   0.00002   0.00001   0.00003   0.00004   2.60911
   R25        2.04773   0.00000  -0.00000   0.00001   0.00001   2.04774
   R26        2.05499  -0.00000   0.00007   0.00004   0.00012   2.05510
   R27        2.57764   0.00002   0.00005   0.00001   0.00006   2.57771
   R28        2.11853  -0.00007  -0.00120   0.00003  -0.00115   2.11738
   R29        5.51937  -0.00001   0.00125   0.00016   0.00140   5.52077
   R30        2.69589  -0.00002   0.00001  -0.00002  -0.00001   2.69588
   R31        2.67690  -0.00003   0.00002  -0.00006  -0.00005   2.67685
   R32        2.55420  -0.00007  -0.00004  -0.00004  -0.00009   2.55412
   R33        2.67474   0.00001   0.00001   0.00002   0.00002   2.67476
   R34        2.59628   0.00001  -0.00004   0.00005   0.00001   2.59629
   R35        2.05250  -0.00000   0.00001   0.00002   0.00003   2.05253
   R36        2.69915  -0.00002   0.00003  -0.00004  -0.00001   2.69914
   R37        2.04858  -0.00000  -0.00001   0.00001   0.00000   2.04859
   R38        2.61193  -0.00002  -0.00006   0.00003  -0.00003   2.61189
   R39        2.66240   0.00006   0.00002   0.00006   0.00008   2.66248
   R40        2.04653  -0.00000   0.00000  -0.00001  -0.00001   2.04652
   R41        2.65410   0.00001   0.00001  -0.00001  -0.00000   2.65410
   R42        2.65518   0.00001  -0.00000   0.00000   0.00000   2.65518
   R43        2.66024  -0.00003  -0.00003  -0.00006  -0.00009   2.66015
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    D3       -3.12739  -0.00000  -0.00001  -0.00007  -0.00007  -3.12746
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    D5        0.00722   0.00000   0.00020  -0.00000   0.00019   0.00741
    D6       -3.11624   0.00000   0.00004   0.00007   0.00010  -3.11613
    D7       -3.13573   0.00000   0.00018   0.00007   0.00025  -3.13548
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    D9       -2.26382  -0.00001  -0.00018  -0.00007  -0.00025  -2.26407
   D10        0.88334  -0.00001  -0.00014  -0.00005  -0.00019   0.88314
   D11        0.87913  -0.00001  -0.00016  -0.00014  -0.00031   0.87883
   D12       -2.25689  -0.00001  -0.00013  -0.00012  -0.00025  -2.25714
   D13       -0.02423  -0.00000  -0.00025  -0.00001  -0.00026  -0.02449
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   D15        3.09349  -0.00001  -0.00035  -0.00015  -0.00050   3.09299
   D16       -0.02824  -0.00000  -0.00061  -0.00014  -0.00075  -0.02898
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   D18       -3.12591   0.00000   0.00070  -0.00001   0.00069  -3.12522
   D19        3.13821   0.00000   0.00060   0.00001   0.00060   3.13881
   D20       -0.00370   0.00000   0.00096  -0.00003   0.00093  -0.00277
   D21        3.11876  -0.00001  -0.00111  -0.00011  -0.00122   3.11754
   D22       -0.03717  -0.00001  -0.00137  -0.00009  -0.00146  -0.03864
   D23       -0.00267  -0.00001  -0.00137  -0.00010  -0.00147  -0.00414
   D24        3.12458  -0.00001  -0.00164  -0.00008  -0.00171   3.12287
   D25        0.00350  -0.00000  -0.00018  -0.00002  -0.00020   0.00330
   D26        3.12755  -0.00000  -0.00009  -0.00001  -0.00010   3.12745
   D27       -3.13779  -0.00000  -0.00053   0.00001  -0.00052  -3.13831
   D28       -0.01374  -0.00000  -0.00045   0.00003  -0.00042  -0.01416
   D29        0.00259   0.00000   0.00067   0.00010   0.00077   0.00336
   D30       -3.13801   0.00000   0.00039   0.00003   0.00042  -3.13759
   D31       -3.13932   0.00000   0.00103   0.00006   0.00109  -3.13822
   D32        0.00327   0.00000   0.00075  -0.00000   0.00075   0.00402
   D33       -0.01528  -0.00000  -0.00010   0.00001  -0.00008  -0.01537
   D34        3.10799  -0.00000   0.00006  -0.00005   0.00001   3.10800
   D35       -3.13891  -0.00000  -0.00019   0.00000  -0.00019  -3.13910
   D36       -0.01564  -0.00000  -0.00003  -0.00007  -0.00010  -0.01573
   D37        0.01000   0.00001   0.00013   0.00015   0.00028   0.01028
   D38       -3.13328   0.00001  -0.00043   0.00014  -0.00028  -3.13357
   D39       -3.11763   0.00001   0.00039   0.00013   0.00052  -3.11711
   D40        0.02228   0.00001  -0.00017   0.00012  -0.00005   0.02223
   D41        3.13161  -0.00000   0.00024  -0.00006   0.00018   3.13178
   D42       -0.04080  -0.00000  -0.00002  -0.00001  -0.00003  -0.04083
   D43       -0.02400  -0.00000  -0.00002  -0.00004  -0.00006  -0.02406
   D44        3.08678  -0.00000  -0.00027   0.00001  -0.00027   3.08651
   D45       -0.01110  -0.00000   0.00152  -0.00008   0.00144  -0.00966
   D46        3.12809  -0.00001   0.00091  -0.00013   0.00079   3.12887
   D47        3.13222  -0.00000   0.00209  -0.00007   0.00202   3.13424
   D48       -0.01177  -0.00001   0.00148  -0.00012   0.00137  -0.01041
   D49       -0.00457  -0.00001   0.00028  -0.00010   0.00018  -0.00439
   D50        3.12226  -0.00000  -0.00018  -0.00003  -0.00021   3.12205
   D51        3.13529  -0.00001  -0.00029  -0.00011  -0.00040   3.13489
   D52       -0.02106  -0.00000  -0.00075  -0.00004  -0.00079  -0.02185
   D53        0.00487  -0.00000  -0.00193  -0.00004  -0.00198   0.00290
   D54       -3.13776  -0.00000  -0.00164   0.00002  -0.00162  -3.13937
   D55       -3.13444   0.00000  -0.00136   0.00000  -0.00135  -3.13580
   D56        0.00611   0.00000  -0.00106   0.00007  -0.00099   0.00512
   D57        3.13563  -0.00000   0.00150  -0.00008   0.00142   3.13705
   D58       -0.02628   0.00001   0.00487   0.00016   0.00503  -0.02126
   D59       -0.03659   0.00000   0.00661  -0.00008   0.00654  -0.03005
   D60       -0.00828  -0.00001   0.00091  -0.00013   0.00078  -0.00750
   D61        3.11298   0.00001   0.00428   0.00011   0.00439   3.11738
   D62        3.10268  -0.00000   0.00602  -0.00013   0.00590   3.10858
   D63        3.13916   0.00000   0.00058   0.00008   0.00067   3.13983
   D64       -0.00141   0.00000   0.00029   0.00002   0.00031  -0.00110
   D65        0.00747  -0.00000   0.00010  -0.00007   0.00004   0.00750
   D66       -3.13492  -0.00000  -0.00000  -0.00004  -0.00004  -3.13496
   D67       -3.10411  -0.00000   0.00035  -0.00011   0.00024  -3.10388
   D68        0.03668  -0.00000   0.00025  -0.00008   0.00016   0.03684
   D69        0.01105   0.00000   0.00001   0.00009   0.00010   0.01115
   D70       -3.10654   0.00000  -0.00010   0.00003  -0.00007  -3.10661
   D71       -3.12974   0.00000   0.00011   0.00006   0.00017  -3.12957
   D72        0.03585  -0.00000   0.00001  -0.00000   0.00001   0.03586
   D73       -2.31248   0.00001   0.00028   0.00014   0.00042  -2.31206
   D74        0.81870   0.00001   0.00016   0.00017   0.00033   0.81904
   D75        0.82830   0.00001   0.00017   0.00017   0.00035   0.82865
   D76       -2.32370   0.00001   0.00006   0.00020   0.00026  -2.32344
   D77       -0.01234   0.00000  -0.00020  -0.00001  -0.00021  -0.01255
   D78       -3.13955  -0.00000   0.00025  -0.00008   0.00017  -3.13938
   D79        3.10535   0.00000  -0.00010   0.00005  -0.00004   3.10531
   D80       -0.02186  -0.00000   0.00035  -0.00001   0.00034  -0.02152
   D81        0.00586   0.00001  -0.00006   0.00010   0.00004   0.00590
   D82       -3.13961   0.00001  -0.00018   0.00018  -0.00000  -3.13961
   D83       -3.11737  -0.00001  -0.00312  -0.00011  -0.00322  -3.12060
   D84        0.02034  -0.00001  -0.00324  -0.00004  -0.00327   0.01708
   D85       -3.11123  -0.00000  -0.00417   0.00009  -0.00407  -3.11530
   D86        0.02649  -0.00000  -0.00429   0.00016  -0.00412   0.02237
   D87       -0.00079  -0.00000  -0.00076  -0.00001  -0.00076  -0.00156
   D88       -3.12593  -0.00000  -0.00041  -0.00004  -0.00045  -3.12638
   D89       -3.13857  -0.00000  -0.00064  -0.00008  -0.00072  -3.13929
   D90        0.01948  -0.00000  -0.00029  -0.00012  -0.00041   0.01908
   D91       -3.14058   0.00000   0.00038   0.00001   0.00039  -3.14019
   D92       -0.02058  -0.00000   0.00064  -0.00001   0.00062  -0.01996
   D93       -0.00294   0.00000   0.00026   0.00009   0.00035  -0.00259
   D94        3.11706   0.00000   0.00051   0.00007   0.00058   3.11764
   D95       -0.00126  -0.00000   0.00062  -0.00005   0.00057  -0.00069
   D96        3.12383  -0.00000   0.00027  -0.00002   0.00026   3.12409
   D97       -0.01951   0.00000   0.00014   0.00004   0.00018  -0.01933
   D98        3.10382   0.00000   0.00006   0.00002   0.00009   3.10391
   D99        3.13835   0.00000   0.00048   0.00001   0.00049   3.13884
   D100      -0.02151   0.00000   0.00041  -0.00001   0.00040  -0.02111
   D101      -0.01370  -0.00000  -0.00007   0.00001  -0.00006  -0.01377
   D102       3.10392   0.00000  -0.00011   0.00012   0.00001   3.10393
   D103      -3.13290   0.00000  -0.00034   0.00004  -0.00030  -3.13320
   D104      -0.01528   0.00000  -0.00038   0.00015  -0.00023  -0.01551
   D105       0.01374  -0.00000  -0.00008  -0.00009  -0.00017   0.01358
   D106       3.13627  -0.00000  -0.00004  -0.00001  -0.00006   3.13621
   D107      -3.10410  -0.00000  -0.00004  -0.00020  -0.00024  -3.10434
   D108       0.01842  -0.00000  -0.00000  -0.00013  -0.00013   0.01829
   D109       0.00335   0.00000   0.00004   0.00006   0.00010   0.00345
   D110      -3.11932   0.00000   0.00012   0.00008   0.00019  -3.11912
   D111      -3.11884   0.00000   0.00001  -0.00001  -0.00000  -3.11885
   D112       0.04168   0.00000   0.00008   0.00000   0.00009   0.04176
   D113      -2.28472   0.00001  -0.00005   0.00013   0.00008  -2.28464
   D114       0.85164   0.00000  -0.00004   0.00003  -0.00001   0.85163
   D115       0.83756   0.00001  -0.00002   0.00021   0.00019   0.83775
   D116      -2.30926   0.00000  -0.00000   0.00010   0.00010  -2.30916
   D117      -3.13777  -0.00000   0.00003  -0.00001   0.00002  -3.13774
   D118       0.04780   0.00000   0.00007   0.00004   0.00011   0.04791
   D119      -0.00092  -0.00000   0.00001  -0.00003  -0.00002  -0.00095
   D120      -3.09854   0.00000   0.00004   0.00002   0.00006  -3.09848
   D121       3.13536   0.00000  -0.00003   0.00002  -0.00001   3.13535
   D122       0.03694   0.00000   0.00001   0.00007   0.00007   0.03701
   D123      -0.00147   0.00000  -0.00000   0.00004   0.00003  -0.00143
   D124      -3.09989   0.00000   0.00003   0.00009   0.00012  -3.09977
   D125       3.12970   0.00000  -0.00008   0.00003  -0.00005   3.12966
   D126       0.03881  -0.00000  -0.00018  -0.00001  -0.00019   0.03862
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   D129      -3.13287  -0.00000   0.00008  -0.00003   0.00005  -3.13282
   D130       0.06213  -0.00000   0.00002  -0.00011  -0.00008   0.06205
   D131      -0.00017  -0.00000  -0.00002  -0.00001  -0.00003  -0.00020
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   D133       3.12919  -0.00000  -0.00002  -0.00003  -0.00005   3.12914
   D134       0.03552  -0.00000  -0.00001  -0.00007  -0.00007   0.03545
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   D140      -3.08751  -0.00000   0.00001  -0.00007  -0.00006  -3.08757
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   D206       3.11866   0.00000  -0.00010   0.00007  -0.00003   3.11863
   D207       3.12131  -0.00000  -0.00011   0.00003  -0.00008   3.12123
   D208      -0.03883  -0.00000  -0.00021   0.00008  -0.00012  -0.03896
   D209       0.00714  -0.00000  -0.00006   0.00000  -0.00006   0.00708
   D210      -3.14135  -0.00000  -0.00002  -0.00000  -0.00002  -3.14137
   D211      -3.11696   0.00000   0.00006  -0.00001   0.00005  -3.11692
   D212       0.01773   0.00000   0.00010  -0.00002   0.00008   0.01781
   D213      -0.00042   0.00000  -0.00002   0.00002   0.00000  -0.00042
   D214       3.09692   0.00000  -0.00000   0.00004   0.00004   3.09696
   D215      -3.12648  -0.00000   0.00006  -0.00003   0.00004  -3.12645
   D216      -0.02915   0.00000   0.00008  -0.00000   0.00007  -0.02907
   D217      -3.11371  -0.00000   0.00005  -0.00006  -0.00001  -3.11372
   D218       0.02093  -0.00000   0.00009  -0.00007   0.00002   0.02094
   D219       0.00747  -0.00000  -0.00006  -0.00000  -0.00006   0.00742
   D220      -3.14107  -0.00000  -0.00001  -0.00001  -0.00003  -3.14110
   D221       3.11773   0.00000  -0.00003   0.00004   0.00000   3.11774
   D222      -0.01220   0.00000  -0.00003   0.00006   0.00003  -0.01217
   D223       0.03052   0.00000  -0.00005   0.00001  -0.00004   0.03048
   D224      -3.09941   0.00000  -0.00005   0.00003  -0.00002  -3.09943
   D225       0.01168  -0.00000  -0.00000  -0.00002  -0.00002   0.01166
   D226      -3.13938  -0.00000  -0.00002  -0.00001  -0.00003  -3.13941
   D227      -3.12200  -0.00000  -0.00005   0.00001  -0.00004  -3.12204
   D228       0.01013  -0.00000  -0.00007   0.00001  -0.00006   0.01007
   D229      -0.01187   0.00000   0.00002   0.00001   0.00003  -0.01184
   D230       3.12471   0.00000   0.00007  -0.00002   0.00005   3.12476
   D231       3.13916   0.00000   0.00004   0.00001   0.00004   3.13921
   D232      -0.00744   0.00000   0.00009  -0.00002   0.00007  -0.00738
   D233      -0.00796   0.00000   0.00003  -0.00001   0.00003  -0.00794
   D234       3.11862   0.00000  -0.00002   0.00001  -0.00001   3.11861
   D235       3.13862  -0.00000  -0.00002   0.00002   0.00000   3.13862
   D236      -0.01799  -0.00000  -0.00007   0.00003  -0.00004  -0.01802
   D237      -0.00895   0.00000   0.00005  -0.00002   0.00003  -0.00892
   D238       3.13513  -0.00000  -0.00002  -0.00001  -0.00003   3.13510
   D239       3.12635  -0.00000   0.00002  -0.00003  -0.00001   3.12634
   D240      -0.01276  -0.00000  -0.00004  -0.00002  -0.00007  -0.01283
   D241      -0.00949  -0.00000   0.00001  -0.00001   0.00001  -0.00948
   D242       3.13878  -0.00000   0.00005  -0.00002   0.00003   3.13881
   D243       3.12960   0.00000   0.00008  -0.00001   0.00007   3.12967
   D244      -0.00531   0.00000   0.00011  -0.00002   0.00009  -0.00522
   D245       0.01022  -0.00000  -0.00001  -0.00000  -0.00001   0.01021
   D246      -3.12523   0.00000  -0.00007   0.00003  -0.00004  -3.12527
   D247      -3.13808  -0.00000  -0.00004   0.00001  -0.00003  -3.13811
   D248       0.00966  -0.00000  -0.00011   0.00004  -0.00007   0.00960
   D249       0.00896   0.00000   0.00002   0.00003   0.00004   0.00901
   D250      -3.13901   0.00000   0.00000  -0.00001  -0.00001  -3.13902
   D251      -3.12666   0.00000  -0.00002   0.00005   0.00003  -3.12663
   D252       0.00855   0.00000  -0.00004   0.00001  -0.00003   0.00853
   D253      -0.00957  -0.00000   0.00000  -0.00002  -0.00001  -0.00958
   D254       3.12907  -0.00000   0.00004  -0.00004  -0.00001   3.12907
   D255       3.13839   0.00000   0.00002   0.00001   0.00004   3.13843
   D256      -0.00616   0.00000   0.00005  -0.00001   0.00004  -0.00611
   D257      -0.00604  -0.00000   0.00000  -0.00002  -0.00002  -0.00606
   D258       3.12529  -0.00000  -0.00002  -0.00005  -0.00007   3.12521
   D259       3.13849  -0.00000  -0.00003   0.00000  -0.00002   3.13847
   D260      -0.01337  -0.00000  -0.00005  -0.00003  -0.00008  -0.01345
   D261      -0.00728  -0.00000   0.00000  -0.00002  -0.00002  -0.00730
   D262       3.13894  -0.00000  -0.00003   0.00001  -0.00002   3.13892
   D263       3.12472  -0.00000  -0.00002  -0.00004  -0.00007   3.12465
   D264      -0.01225  -0.00000  -0.00005  -0.00001  -0.00007  -0.01232
   D265      -0.00900  -0.00000   0.00000  -0.00000  -0.00000  -0.00900
   D266       3.13993   0.00000   0.00003   0.00002   0.00005   3.13998
   D267       3.12795  -0.00000   0.00004  -0.00004  -0.00000   3.12795
   D268      -0.00630   0.00000   0.00006  -0.00001   0.00005  -0.00626
   D269       0.00908   0.00000   0.00002   0.00001   0.00004   0.00912
   D270      -3.12613   0.00000  -0.00001   0.00003   0.00002  -3.12611
   D271      -3.13987   0.00000  -0.00000  -0.00001  -0.00001  -3.13988
   D272       0.00811  -0.00000  -0.00004   0.00000  -0.00003   0.00808
   D273       0.01143   0.00000   0.00001   0.00000   0.00001   0.01145
   D274      -3.13947  -0.00000  -0.00002  -0.00000  -0.00002  -3.13950
   D275      -3.12319   0.00000  -0.00003   0.00001  -0.00002  -3.12321
   D276       0.00909  -0.00000  -0.00006   0.00001  -0.00005   0.00904
   D277      -0.00970  -0.00000   0.00001   0.00000   0.00002  -0.00968
   D278       3.12561   0.00000   0.00005  -0.00002   0.00003   3.12565
   D279       3.14119   0.00000   0.00004   0.00001   0.00005   3.14124
   D280      -0.00669   0.00000   0.00009  -0.00002   0.00007  -0.00662
   D281      -0.01120  -0.00000   0.00001  -0.00001  -0.00000  -0.01120
   D282       3.11888  -0.00000   0.00001  -0.00003  -0.00003   3.11885
   D283       3.13665  -0.00000  -0.00003   0.00001  -0.00002   3.13663
   D284      -0.01646  -0.00000  -0.00003  -0.00001  -0.00005  -0.01651
   D285      -0.00430  -0.00000   0.00001  -0.00001  -0.00000  -0.00430
   D286       3.13976  -0.00000  -0.00002   0.00001  -0.00001   3.13975
   D287       3.12740  -0.00000  -0.00000  -0.00001  -0.00001   3.12739
   D288      -0.01172  -0.00000  -0.00004   0.00002  -0.00002  -0.01174
   D289      -0.01042   0.00000   0.00002  -0.00000   0.00002  -0.01040
   D290       3.13787   0.00000   0.00002   0.00002   0.00004   3.13791
   D291       3.12869   0.00000   0.00005  -0.00002   0.00003   3.12872
   D292      -0.00621   0.00000   0.00006  -0.00000   0.00006  -0.00615
   D293       0.00880   0.00000   0.00001   0.00001   0.00001   0.00881
   D294      -3.12588  -0.00000  -0.00004   0.00001  -0.00003  -3.12590
   D295      -3.13950  -0.00000   0.00000  -0.00002  -0.00001  -3.13952
   D296       0.00901  -0.00000  -0.00004  -0.00001  -0.00005   0.00896
         Item               Value     Threshold  Converged?
 Maximum Force            0.000172     0.000450     YES
 RMS     Force            0.000021     0.000300     YES
 Maximum Displacement     0.042025     0.001800     NO 
 RMS     Displacement     0.004007     0.001200     NO 
 Predicted change in Energy=-5.081695D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.034979    2.958358    0.093328
      2          6           0       -2.307946    1.594518    0.014593
      3          6           0       -1.276972    0.637397    0.001318
      4          6           0        0.060446    1.095698    0.039964
      5          6           0        0.326648    2.476562    0.110023
      6          6           0       -0.699138    3.400405    0.145957
      7          6           0       -1.551346   -0.807110   -0.075481
      8          6           0       -0.481405   -1.749986   -0.116438
      9          6           0        0.887098   -1.270615   -0.068539
     10          6           0        1.166478    0.144376    0.007572
     11          6           0       -2.867282   -1.291691   -0.092677
     12          6           0       -3.149776   -2.655719   -0.176676
     13          6           0       -2.087960   -3.575755   -0.237140
     14          6           0       -0.782216   -3.128617   -0.199946
     15          7           0        1.943883   -2.103079   -0.088638
     16          6           0        3.229715   -1.649525   -0.048726
     17          6           0        3.445467   -0.241206    0.023873
     18          7           0        2.403105    0.618761    0.050438
     19          6           0        4.331196   -2.539864   -0.073065
     20          6           0        5.603145   -2.022390   -0.028740
     21          6           0        5.839133   -0.614692    0.024203
     22          6           0        4.769044    0.259780    0.047873
     23          7           0       -3.093994    3.893204    0.121807
     24          7           0       -4.485603   -3.101646   -0.199292
     25          7           0        7.164772   -0.140158    0.074809
     26          6           0       -5.017130   -4.144759    0.582364
     27          6           0       -6.395038   -4.280800    0.285448
     28          6           0       -6.713836   -3.287468   -0.719806
     29          6           0       -5.520052   -2.576559   -0.995164
     30          6           0       -3.208371    5.027661   -0.698268
     31          6           0       -4.402381    5.714309   -0.365963
     32          6           0       -5.036665    4.968583    0.701687
     33          6           0       -4.208149    3.852556    0.976911
     34          6           0        7.669820    0.811083    0.980262
     35          6           0        9.047614    1.005427    0.715327
     36          6           0        9.391890    0.147272   -0.400163
     37          6           0        8.212964   -0.543895   -0.771588
     38          6           0       -7.887164   -2.963785   -1.409181
     39          6           0       -7.855441   -1.951017   -2.363276
     40          6           0       -6.658983   -1.271365   -2.641818
     41          6           0       -5.476844   -1.575183   -1.968869
     42          6           0       -4.399624   -4.931872    1.557799
     43          6           0       -5.179544   -5.884040    2.211488
     44          6           0       -6.542183   -6.045571    1.913638
     45          6           0       -7.156494   -5.243420    0.956758
     46          6           0       -6.207707    5.159691    1.443365
     47          6           0       -6.531191    4.250179    2.445632
     48          6           0       -5.689325    3.159688    2.718643
     49          6           0       -4.517963    2.946519    1.994535
     50          6           0       -2.376300    5.466867   -1.731418
     51          6           0       -2.744129    6.625966   -2.411989
     52          6           0       -3.914399    7.329019   -2.082290
     53          6           0       -4.749135    6.875578   -1.065284
     54          6           0       10.575746   -0.072609   -1.112198
     55          6           0       10.567486   -0.963672   -2.181322
     56          6           0        9.384823   -1.623923   -2.551107
     57          6           0        8.191930   -1.420464   -1.859563
     58          6           0        7.029730    1.467491    2.034153
     59          6           0        7.787329    2.345095    2.807701
     60          6           0        9.149442    2.563341    2.546155
     61          6           0        9.785637    1.892993    1.505657
     62          1           0       -3.344318    1.293806   -0.058725
     63          1           0        1.360407    2.797258    0.151788
     64          1           0       -0.486643    4.459983    0.231142
     65          1           0       -3.702352   -0.609919   -0.011559
     66          1           0       -2.290993   -4.635645   -0.335292
     67          1           0        0.013669   -3.867980   -0.250915
     68          1           0        1.863660   -3.220132   -0.123400
     69          1           0        4.139538   -3.608469   -0.105809
     70          1           0        6.454463   -2.693323   -0.011218
     71          1           0        4.910315    1.333325    0.067256
     72          1           0       -8.808358   -3.502071   -1.206310
     73          1           0       -8.759546   -1.688862   -2.903692
     74          1           0       -6.648603   -0.494582   -3.400380
     75          1           0       -4.556169   -1.056470   -2.209728
     76          1           0       -3.352623   -4.810452    1.809520
     77          1           0       -4.718898   -6.510948    2.968795
     78          1           0       -7.120442   -6.798619    2.439701
     79          1           0       -8.213888   -5.357653    0.736722
     80          1           0       -6.851845    6.010606    1.241746
     81          1           0       -7.438014    4.385840    3.026522
     82          1           0       -5.951851    2.466698    3.512241
     83          1           0       -3.869034    2.109352    2.225311
     84          1           0       -1.478608    4.924589   -2.005843
     85          1           0       -2.111624    6.987855   -3.217008
     86          1           0       -4.171409    8.229491   -2.631224
     87          1           0       -5.661395    7.411630   -0.820267
     88          1           0       11.486707    0.450795   -0.837118
     89          1           0       11.479782   -1.144739   -2.740835
     90          1           0        9.393488   -2.304364   -3.397071
     91          1           0        7.282484   -1.921782   -2.170551
     92          1           0        5.982342    1.298900    2.255785
     93          1           0        7.310073    2.867687    3.631152
     94          1           0        9.710220    3.256145    3.165608
     95          1           0       10.842619    2.050615    1.312230
     96         17           0        2.048673   -5.021835   -0.158214
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463334           0.0189100           0.0145414
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.2984622064 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000132    0.000014   -0.000005 Ang=  -0.02 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2888.58794004     A.U. after    9 cycles
            NFock=  9  Conv=0.83D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012185    0.000001397    0.000001090
      2        6          -0.000002510   -0.000006605    0.000004341
      3        6          -0.000000730    0.000003488   -0.000003464
      4        6           0.000009201    0.000000507    0.000003366
      5        6          -0.000002199    0.000000361   -0.000000747
      6        6          -0.000004826   -0.000001570   -0.000008563
      7        6           0.000023097   -0.000001362    0.000008571
      8        6          -0.000033903   -0.000015499   -0.000005048
      9        6           0.000033026    0.000042682    0.000005905
     10        6          -0.000023489   -0.000029772   -0.000006199
     11        6          -0.000017723   -0.000014373    0.000010731
     12        6           0.000061173    0.000033481    0.000002902
     13        6          -0.000015935   -0.000002403   -0.000005993
     14        6           0.000014933    0.000003491   -0.000011717
     15        7          -0.000040884   -0.000036430    0.000004825
     16        6           0.000037397   -0.000027203   -0.000002597
     17        6          -0.000016929   -0.000000543   -0.000000800
     18        7           0.000017994    0.000010312    0.000004261
     19        6          -0.000021317    0.000006212   -0.000004206
     20        6           0.000009780    0.000015724    0.000007896
     21        6          -0.000030021   -0.000033979   -0.000000802
     22        6           0.000010419    0.000007271   -0.000000644
     23        7           0.000011944   -0.000006706   -0.000000055
     24        7          -0.000054509   -0.000032153    0.000005670
     25        7           0.000024705    0.000025518   -0.000001389
     26        6          -0.000000655    0.000011567   -0.000001235
     27        6          -0.000007498    0.000010037    0.000007957
     28        6           0.000006919   -0.000010157   -0.000008144
     29        6           0.000011497   -0.000008151   -0.000004568
     30        6          -0.000007152    0.000024894    0.000000450
     31        6           0.000008470    0.000001452   -0.000001673
     32        6           0.000001964   -0.000008068    0.000001893
     33        6          -0.000022543   -0.000007572   -0.000001027
     34        6           0.000001810   -0.000004087    0.000000135
     35        6           0.000000439   -0.000003682    0.000001991
     36        6          -0.000003320    0.000002202   -0.000001544
     37        6           0.000000753    0.000001223    0.000002563
     38        6          -0.000001093    0.000001441    0.000008400
     39        6           0.000003202    0.000004776   -0.000003199
     40        6          -0.000003757   -0.000002003    0.000000075
     41        6           0.000000951    0.000001752    0.000003167
     42        6           0.000003060    0.000002054   -0.000003799
     43        6          -0.000004375   -0.000003157   -0.000000263
     44        6           0.000005961    0.000001519    0.000004093
     45        6           0.000001501   -0.000001475   -0.000008944
     46        6           0.000003024    0.000006325   -0.000006292
     47        6           0.000005178   -0.000006860    0.000005258
     48        6          -0.000005601    0.000004050    0.000000147
     49        6           0.000002878    0.000002649   -0.000001398
     50        6          -0.000000401   -0.000004893    0.000000490
     51        6          -0.000006523    0.000003073   -0.000000102
     52        6           0.000008275   -0.000000691   -0.000004920
     53        6          -0.000003583   -0.000005013    0.000005865
     54        6          -0.000000655    0.000000551    0.000005799
     55        6          -0.000003727   -0.000004499   -0.000004258
     56        6           0.000004295    0.000002746   -0.000000180
     57        6          -0.000002953   -0.000000073    0.000000754
     58        6          -0.000000473   -0.000000925   -0.000002547
     59        6           0.000003308    0.000001416   -0.000000334
     60        6          -0.000005213   -0.000001212    0.000002821
     61        6           0.000001431   -0.000001320   -0.000004730
     62        1           0.000003473    0.000004162   -0.000004834
     63        1           0.000001751    0.000000145   -0.000000900
     64        1           0.000000815   -0.000001096    0.000004086
     65        1           0.000004637   -0.000004123    0.000001728
     66        1          -0.000003215    0.000000029   -0.000000414
     67        1          -0.000001338    0.000001316   -0.000000037
     68        1           0.000006327    0.000056187   -0.000002285
     69        1           0.000003748    0.000003288    0.000001857
     70        1          -0.000001826    0.000000539   -0.000002977
     71        1          -0.000000995    0.000000555    0.000000925
     72        1          -0.000000494    0.000000127   -0.000002227
     73        1          -0.000001028   -0.000000359    0.000000925
     74        1          -0.000000311   -0.000000029   -0.000000401
     75        1           0.000000220   -0.000001585   -0.000000003
     76        1          -0.000000175    0.000002645   -0.000000150
     77        1           0.000000067   -0.000000157    0.000000176
     78        1          -0.000000743   -0.000001113   -0.000001572
     79        1          -0.000000392   -0.000000528    0.000002631
     80        1          -0.000000577   -0.000000586    0.000001629
     81        1          -0.000001129    0.000000626   -0.000001359
     82        1           0.000000656   -0.000000401   -0.000000101
     83        1           0.000000775    0.000000608    0.000001311
     84        1          -0.000001234   -0.000000040   -0.000000735
     85        1           0.000000446   -0.000000153    0.000000106
     86        1          -0.000001228    0.000000675    0.000001393
     87        1           0.000000176    0.000000888   -0.000001484
     88        1           0.000000559    0.000000051   -0.000002095
     89        1           0.000001053    0.000000315    0.000001047
     90        1           0.000000330   -0.000000063   -0.000000075
     91        1           0.000000021    0.000002301   -0.000000154
     92        1          -0.000001137   -0.000001000   -0.000000863
     93        1          -0.000000103   -0.000000192    0.000000216
     94        1           0.000000964    0.000000492   -0.000000750
     95        1          -0.000000134    0.000000757    0.000001345
     96       17          -0.000006232   -0.000016015    0.000004008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000061173 RMS     0.000010967

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000048606 RMS     0.000005253
 Search for a local minimum.
 Step number  24 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16   17   18
                                                     19   20   21   22   23
                                                     24
 DE= -5.70D-07 DEPred=-5.08D-07 R= 1.12D+00
 Trust test= 1.12D+00 RLast= 1.52D-02 DXMaxT set to 3.00D+00
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0  1  0
     Eigenvalues ---    0.00194   0.00795   0.01095   0.01487   0.02278
     Eigenvalues ---    0.02565   0.02705   0.02723   0.02729   0.02737
     Eigenvalues ---    0.02745   0.02752   0.02753   0.02762   0.02769
     Eigenvalues ---    0.02776   0.02788   0.02788   0.02792   0.02793
     Eigenvalues ---    0.02794   0.02795   0.02800   0.02811   0.02816
     Eigenvalues ---    0.02817   0.02819   0.02819   0.02820   0.02823
     Eigenvalues ---    0.02829   0.02833   0.02836   0.02838   0.02843
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02852   0.02855   0.02856   0.02859   0.02867
     Eigenvalues ---    0.02868   0.02868   0.02869   0.02871   0.02872
     Eigenvalues ---    0.02872   0.02875   0.02876   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02883   0.02884   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02887   0.02889   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02902   0.02904
     Eigenvalues ---    0.02909   0.02910   0.02913   0.02931   0.02942
     Eigenvalues ---    0.02946   0.02969   0.03023   0.03028   0.03058
     Eigenvalues ---    0.03124   0.03127   0.03131   0.03138   0.03147
     Eigenvalues ---    0.03201   0.03292   0.03520   0.05727   0.11617
     Eigenvalues ---    0.15124   0.15672   0.15904   0.15971   0.15987
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16008   0.16032
     Eigenvalues ---    0.16050   0.16083   0.16194   0.17242   0.21007
     Eigenvalues ---    0.21886   0.21996   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22363   0.22370   0.22471   0.22555
     Eigenvalues ---    0.22600   0.22602   0.22603   0.22606   0.22642
     Eigenvalues ---    0.22782   0.23483   0.23512   0.23861   0.24085
     Eigenvalues ---    0.24447   0.24479   0.24481   0.24509   0.24517
     Eigenvalues ---    0.24620   0.24683   0.24763   0.24945   0.24964
     Eigenvalues ---    0.24965   0.24970   0.24974   0.24977   0.24977
     Eigenvalues ---    0.24998   0.25001   0.25015   0.25027   0.25109
     Eigenvalues ---    0.25163   0.25452   0.25671   0.30396   0.33242
     Eigenvalues ---    0.33248   0.33253   0.33255   0.33255   0.33256
     Eigenvalues ---    0.33286   0.33325   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33397   0.33399   0.33455   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33647   0.33718
     Eigenvalues ---    0.33847   0.33864   0.33884   0.33893   0.33903
     Eigenvalues ---    0.33907   0.33935   0.33962   0.34130   0.34340
     Eigenvalues ---    0.34779   0.35943   0.36096   0.44464   0.44474
     Eigenvalues ---    0.44769   0.45177   0.46401   0.48177   0.48888
     Eigenvalues ---    0.48945   0.48983   0.49618   0.49761   0.50201
     Eigenvalues ---    0.50242   0.50365   0.50396   0.50592   0.50612
     Eigenvalues ---    0.50676   0.51128   0.52450   0.52694   0.53052
     Eigenvalues ---    0.54033   0.54096   0.54194   0.54199   0.54211
     Eigenvalues ---    0.54454   0.54756   0.54898   0.55269   0.55432
     Eigenvalues ---    0.55506   0.55619   0.55767   0.55803   0.55901
     Eigenvalues ---    0.55939   0.56097   0.56127   0.56147   0.56219
     Eigenvalues ---    0.56337   0.56498   0.56621   0.56664   0.56665
     Eigenvalues ---    0.56666   0.56680   0.56695   0.56734   0.56810
     Eigenvalues ---    0.56896   0.56915   0.57076   0.57160   0.57161
     Eigenvalues ---    0.57167   0.57173   0.57178   0.59339   0.61485
     Eigenvalues ---    0.62660   0.65030   0.66035   0.67089   0.67579
     Eigenvalues ---    0.67714   0.68540   0.69216   0.69922   0.73089
     Eigenvalues ---    0.76104   0.77520
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    24   23   22   21   20   19   18   17   16   15
 RFO step:  Lambda=-1.18216899D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 RFO-DIIS uses    6 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    0.82626    0.46024   -0.18838   -0.23092    0.16648
                  RFO-DIIS coefs:   -0.03368    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00089374 RMS(Int)=  0.00000124
 Iteration  2 RMS(Cart)=  0.00000031 RMS(Int)=  0.00000123
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63261   0.00000  -0.00000   0.00001   0.00001   2.63261
    R2        2.66086  -0.00001  -0.00004   0.00002  -0.00001   2.66085
    R3        2.66998   0.00001  -0.00000   0.00001   0.00001   2.66998
    R4        2.65852  -0.00000  -0.00001   0.00000  -0.00001   2.65851
    R5        2.04394  -0.00000  -0.00001   0.00001  -0.00000   2.04393
    R6        2.67262   0.00000   0.00002  -0.00000   0.00002   2.67264
    R7        2.78232   0.00001  -0.00004   0.00001  -0.00003   2.78229
    R8        2.66080  -0.00000  -0.00001   0.00001  -0.00000   2.66079
    R9        2.75756  -0.00001  -0.00008   0.00003  -0.00005   2.75751
   R10        2.60961  -0.00000  -0.00001   0.00000  -0.00000   2.60961
   R11        2.04689   0.00000   0.00000   0.00000   0.00001   2.04689
   R12        2.04852  -0.00000   0.00000  -0.00000  -0.00000   2.04851
   R13        2.69607  -0.00002   0.00005  -0.00004   0.00001   2.69608
   R14        2.65020   0.00001  -0.00001   0.00002   0.00001   2.65022
   R15        2.74166   0.00002  -0.00005   0.00007   0.00002   2.74168
   R16        2.67120  -0.00000  -0.00002   0.00001  -0.00001   2.67119
   R17        2.72936  -0.00003  -0.00001  -0.00003  -0.00004   2.72932
   R18        2.54250  -0.00002  -0.00003   0.00001  -0.00002   2.54248
   R19        2.50424   0.00001  -0.00003   0.00005   0.00001   2.50426
   R20        2.63712  -0.00001  -0.00004   0.00001  -0.00003   2.63709
   R21        2.04295  -0.00001  -0.00001   0.00001  -0.00000   2.04294
   R22        2.65745  -0.00001  -0.00005   0.00000  -0.00005   2.65741
   R23        2.66163   0.00005   0.00008   0.00005   0.00013   2.66175
   R24        2.60911   0.00000   0.00001   0.00001   0.00002   2.60913
   R25        2.04774  -0.00000  -0.00000   0.00001   0.00000   2.04774
   R26        2.05510  -0.00000  -0.00001   0.00002   0.00000   2.05511
   R27        2.57771   0.00002  -0.00001   0.00002   0.00002   2.57772
   R28        2.11738  -0.00004  -0.00033  -0.00010  -0.00044   2.11695
   R29        5.52077  -0.00000   0.00001   0.00042   0.00043   5.52120
   R30        2.69588   0.00001   0.00001   0.00000   0.00001   2.69589
   R31        2.67685  -0.00001  -0.00001  -0.00003  -0.00004   2.67682
   R32        2.55412  -0.00000   0.00001  -0.00002  -0.00001   2.55411
   R33        2.67476   0.00000   0.00001   0.00001   0.00002   2.67478
   R34        2.59629   0.00001  -0.00004   0.00005   0.00001   2.59630
   R35        2.05253  -0.00000  -0.00000  -0.00000  -0.00000   2.05252
   R36        2.69914  -0.00001   0.00003  -0.00004  -0.00001   2.69913
   R37        2.04859  -0.00000  -0.00000   0.00000  -0.00000   2.04859
   R38        2.61189  -0.00001  -0.00006   0.00004  -0.00003   2.61187
   R39        2.66248   0.00003   0.00004   0.00003   0.00007   2.66254
   R40        2.04652   0.00000   0.00001  -0.00000   0.00000   2.04653
   R41        2.65410   0.00002   0.00001   0.00002   0.00003   2.65414
   R42        2.65518   0.00001   0.00001   0.00002   0.00003   2.65521
   R43        2.66015  -0.00002  -0.00003  -0.00002  -0.00005   2.66010
   R44        2.65855  -0.00001  -0.00005  -0.00001  -0.00006   2.65849
   R45        2.65893  -0.00001  -0.00001  -0.00001  -0.00002   2.65891
   R46        2.65780  -0.00000   0.00000  -0.00002  -0.00001   2.65779
   R47        2.67601  -0.00000  -0.00001   0.00001   0.00000   2.67602
   R48        2.64044  -0.00000  -0.00002   0.00001  -0.00001   2.64043
   R49        2.73774  -0.00000   0.00001  -0.00001   0.00000   2.73774
   R50        2.64367  -0.00000  -0.00001   0.00001   0.00000   2.64367
   R51        2.67671   0.00000   0.00000   0.00001   0.00001   2.67672
   R52        2.64339  -0.00000  -0.00001   0.00001  -0.00000   2.64339
   R53        2.64070  -0.00000  -0.00001   0.00001  -0.00000   2.64069
   R54        2.67753  -0.00001  -0.00002   0.00000  -0.00002   2.67751
   R55        2.64065  -0.00000  -0.00002   0.00002  -0.00001   2.64064
   R56        2.73737   0.00000   0.00002  -0.00001   0.00001   2.73738
   R57        2.64415  -0.00000  -0.00002   0.00001  -0.00001   2.64415
   R58        2.67762  -0.00001  -0.00002   0.00000  -0.00002   2.67760
   R59        2.64423  -0.00000  -0.00001   0.00001  -0.00001   2.64422
   R60        2.64051  -0.00000  -0.00002   0.00001  -0.00001   2.64051
   R61        2.67667  -0.00000  -0.00002   0.00001  -0.00001   2.67666
   R62        2.63972  -0.00000  -0.00002   0.00001  -0.00001   2.63971
   R63        2.73800  -0.00000   0.00002  -0.00001   0.00001   2.73801
   R64        2.64364  -0.00000  -0.00002   0.00001  -0.00000   2.64364
   R65        2.67617  -0.00000  -0.00001   0.00001  -0.00001   2.67616
   R66        2.64349  -0.00000  -0.00001   0.00001  -0.00000   2.64349
   R67        2.64055  -0.00000  -0.00002   0.00001  -0.00001   2.64055
   R68        2.63005   0.00000  -0.00002   0.00002   0.00000   2.63005
   R69        2.05234  -0.00000   0.00000  -0.00000   0.00000   2.05234
   R70        2.65304  -0.00000  -0.00001   0.00001  -0.00000   2.65304
   R71        2.05119   0.00000   0.00000  -0.00000   0.00000   2.05119
   R72        2.63386   0.00000  -0.00001   0.00001   0.00000   2.63386
   R73        2.05182   0.00000   0.00000   0.00000   0.00000   2.05183
   R74        2.04817  -0.00000   0.00000   0.00000   0.00000   2.04817
   R75        2.63358   0.00000  -0.00000   0.00001   0.00000   2.63359
   R76        2.04782   0.00000   0.00001  -0.00000   0.00001   2.04783
   R77        2.65343  -0.00000  -0.00001   0.00001  -0.00000   2.65343
   R78        2.05166   0.00000   0.00000   0.00000   0.00000   2.05166
   R79        2.62967   0.00000  -0.00001   0.00002   0.00001   2.62967
   R80        2.05121   0.00000   0.00000  -0.00000   0.00000   2.05121
   R81        2.05237  -0.00000   0.00000  -0.00000   0.00000   2.05237
   R82        2.62964   0.00000  -0.00002   0.00002   0.00001   2.62964
   R83        2.05244  -0.00000   0.00000  -0.00000  -0.00000   2.05244
   R84        2.65400  -0.00001  -0.00002   0.00001  -0.00001   2.65399
   R85        2.05117   0.00000   0.00000  -0.00000   0.00000   2.05117
   R86        2.63335   0.00000   0.00000   0.00000   0.00000   2.63335
   R87        2.05186   0.00000  -0.00000   0.00000   0.00000   2.05186
   R88        2.04860   0.00000   0.00000  -0.00000   0.00000   2.04860
   R89        2.63343   0.00000   0.00000   0.00001   0.00001   2.63344
   R90        2.04861  -0.00000   0.00001  -0.00001  -0.00000   2.04861
   R91        2.65405  -0.00001  -0.00002   0.00001  -0.00001   2.65404
   R92        2.05197   0.00000  -0.00000   0.00000   0.00000   2.05197
   R93        2.62984   0.00000  -0.00002   0.00002   0.00001   2.62985
   R94        2.05123   0.00000   0.00000  -0.00000   0.00000   2.05123
   R95        2.05242  -0.00000   0.00000  -0.00000  -0.00000   2.05242
   R96        2.63011   0.00000  -0.00002   0.00002   0.00000   2.63011
   R97        2.05231  -0.00000   0.00000  -0.00000  -0.00000   2.05231
   R98        2.65328  -0.00000  -0.00001   0.00001  -0.00001   2.65327
   R99        2.05113   0.00000   0.00000  -0.00000   0.00000   2.05114
   R100       2.63386   0.00000  -0.00000   0.00001   0.00000   2.63387
   R101       2.05166   0.00000  -0.00000   0.00000   0.00000   2.05166
   R102       2.04852  -0.00000   0.00000  -0.00000   0.00000   2.04852
   R103       2.63379   0.00000  -0.00000   0.00001   0.00000   2.63380
   R104       2.04804   0.00000   0.00001  -0.00001   0.00000   2.04804
   R105       2.65329  -0.00000  -0.00002   0.00001  -0.00001   2.65329
   R106       2.05185   0.00000  -0.00000   0.00000   0.00000   2.05185
   R107       2.62987   0.00000  -0.00001   0.00002   0.00000   2.62988
   R108       2.05118   0.00000   0.00000  -0.00000   0.00000   2.05118
   R109       2.05231  -0.00000   0.00000  -0.00000   0.00000   2.05231
   R110       3.42326   0.00002   0.00029   0.00054   0.00083   3.42409
    A1        2.08903   0.00000   0.00001  -0.00000   0.00001   2.08903
    A2        2.09674  -0.00000  -0.00000  -0.00001  -0.00001   2.09672
    A3        2.09742  -0.00000  -0.00001   0.00001   0.00000   2.09743
    A4        2.12115  -0.00000   0.00003  -0.00003  -0.00000   2.12114
    A5        2.05303  -0.00000  -0.00001   0.00002   0.00000   2.05303
    A6        2.10877   0.00000  -0.00001   0.00001  -0.00000   2.10877
    A7        2.06267  -0.00000  -0.00004   0.00004  -0.00001   2.06267
    A8        2.13106   0.00000   0.00002  -0.00003  -0.00001   2.13105
    A9        2.08929  -0.00000   0.00002  -0.00001   0.00001   2.08930
   A10        2.09202   0.00000   0.00001  -0.00001   0.00000   2.09202
   A11        2.10005  -0.00000  -0.00000  -0.00001  -0.00002   2.10003
   A12        2.09112  -0.00000  -0.00001   0.00002   0.00002   2.09113
   A13        2.11407   0.00000   0.00002  -0.00002   0.00000   2.11407
   A14        2.06316  -0.00000  -0.00003   0.00002  -0.00001   2.06315
   A15        2.10582   0.00000   0.00002  -0.00001   0.00001   2.10582
   A16        2.08715  -0.00000  -0.00002   0.00002  -0.00000   2.08715
   A17        2.08951   0.00000  -0.00004   0.00004   0.00000   2.08951
   A18        2.10638  -0.00000   0.00006  -0.00006   0.00000   2.10638
   A19        2.10613  -0.00000  -0.00002   0.00003   0.00001   2.10614
   A20        2.11122   0.00001   0.00004  -0.00003   0.00001   2.11123
   A21        2.06574  -0.00001  -0.00002  -0.00000  -0.00002   2.06572
   A22        2.08068  -0.00000  -0.00003  -0.00001  -0.00004   2.08064
   A23        2.07906   0.00001   0.00001   0.00003   0.00004   2.07910
   A24        2.12344  -0.00001   0.00002  -0.00001   0.00001   2.12344
   A25        2.10355   0.00001   0.00005  -0.00002   0.00003   2.10358
   A26        2.13644  -0.00002  -0.00002  -0.00000  -0.00002   2.13642
   A27        2.04319   0.00002  -0.00004   0.00002  -0.00001   2.04318
   A28        2.08662   0.00000  -0.00001   0.00002   0.00001   2.08663
   A29        2.06372   0.00000   0.00001  -0.00000   0.00001   2.06373
   A30        2.13284  -0.00000   0.00000  -0.00002  -0.00002   2.13283
   A31        2.12754  -0.00000  -0.00002  -0.00002  -0.00004   2.12750
   A32        2.10131   0.00000   0.00005  -0.00002   0.00004   2.10135
   A33        2.05394   0.00000  -0.00003   0.00004   0.00000   2.05394
   A34        2.08200   0.00001   0.00006   0.00001   0.00007   2.08207
   A35        2.09719   0.00000  -0.00002  -0.00001  -0.00002   2.09717
   A36        2.10400  -0.00001  -0.00005   0.00000  -0.00004   2.10395
   A37        2.09560  -0.00000  -0.00003   0.00000  -0.00002   2.09558
   A38        2.09710  -0.00000  -0.00006   0.00003  -0.00002   2.09707
   A39        2.09024   0.00000   0.00009  -0.00004   0.00005   2.09029
   A40        2.11613  -0.00001  -0.00001  -0.00002  -0.00003   2.11610
   A41        2.10610   0.00000   0.00004  -0.00001   0.00003   2.10613
   A42        2.06086   0.00000  -0.00003   0.00004   0.00000   2.06086
   A43        2.13441   0.00000   0.00010  -0.00001   0.00007   2.13448
   A44        2.16648   0.00002  -0.00002   0.00003   0.00000   2.16648
   A45        2.27403  -0.00003  -0.00010   0.00004  -0.00007   2.27396
   A46        1.98219  -0.00002  -0.00005  -0.00002  -0.00007   1.98212
   A47        1.87452   0.00003   0.00006  -0.00004   0.00001   1.87453
   A48        2.06269  -0.00002  -0.00009   0.00000  -0.00008   2.06260
   A49        2.12175   0.00002   0.00011  -0.00003   0.00007   2.12182
   A50        2.09874  -0.00000  -0.00001   0.00003   0.00001   2.09875
   A51        2.10887   0.00001   0.00003  -0.00000   0.00003   2.10890
   A52        2.08484   0.00000   0.00002  -0.00002  -0.00000   2.08484
   A53        2.08936  -0.00001  -0.00005   0.00002  -0.00003   2.08933
   A54        2.08435  -0.00000   0.00000   0.00001   0.00001   2.08436
   A55        2.07442   0.00000  -0.00001  -0.00001  -0.00001   2.07441
   A56        2.07338   0.00000  -0.00001   0.00002   0.00002   2.07339
   A57        2.13518  -0.00000   0.00001  -0.00002  -0.00000   2.13518
   A58        2.12394   0.00000   0.00000  -0.00001  -0.00001   2.12393
   A59        2.08799  -0.00000   0.00005  -0.00003   0.00002   2.08801
   A60        2.07102   0.00000  -0.00005   0.00004  -0.00001   2.07100
   A61        2.09009   0.00000   0.00002   0.00001   0.00003   2.09012
   A62        2.08143   0.00000  -0.00001  -0.00000  -0.00001   2.08142
   A63        2.11151  -0.00001  -0.00002  -0.00000  -0.00002   2.11149
   A64        2.09411  -0.00000  -0.00003   0.00000  -0.00003   2.09408
   A65        2.06366   0.00000   0.00001  -0.00001   0.00000   2.06366
   A66        2.12526   0.00000   0.00002   0.00000   0.00003   2.12529
   A67        2.19409   0.00001   0.00002   0.00000   0.00002   2.19411
   A68        2.19873   0.00000  -0.00001   0.00000  -0.00001   2.19873
   A69        1.89035  -0.00001  -0.00001  -0.00000  -0.00001   1.89034
   A70        2.19420  -0.00001  -0.00002  -0.00001  -0.00003   2.19417
   A71        2.19974   0.00000   0.00001  -0.00000   0.00001   2.19974
   A72        1.88921   0.00000   0.00001   0.00001   0.00002   1.88923
   A73        2.20005  -0.00001  -0.00002   0.00000  -0.00002   2.20003
   A74        2.19312   0.00001   0.00002  -0.00001   0.00001   2.19313
   A75        1.89001   0.00000   0.00000   0.00001   0.00001   1.89002
   A76        1.89882   0.00000   0.00001  -0.00000   0.00000   1.89882
   A77        2.26295  -0.00001  -0.00003   0.00000  -0.00003   2.26292
   A78        2.12032   0.00000   0.00003  -0.00000   0.00003   2.12036
   A79        1.86893  -0.00000  -0.00001  -0.00000  -0.00001   1.86892
   A80        2.08876  -0.00000  -0.00002  -0.00000  -0.00002   2.08874
   A81        2.32537   0.00000   0.00003   0.00000   0.00004   2.32541
   A82        1.86874  -0.00000  -0.00001   0.00000  -0.00001   1.86873
   A83        2.32567   0.00000   0.00002   0.00000   0.00002   2.32569
   A84        2.08862  -0.00000  -0.00001  -0.00000  -0.00001   2.08861
   A85        1.89907  -0.00000   0.00001  -0.00001  -0.00000   1.89907
   A86        2.26388  -0.00000  -0.00001   0.00000  -0.00001   2.26387
   A87        2.11902   0.00000   0.00001   0.00001   0.00002   2.11904
   A88        1.89983  -0.00000   0.00001  -0.00001  -0.00000   1.89983
   A89        2.26151   0.00000  -0.00002   0.00002  -0.00000   2.26151
   A90        2.12101   0.00000   0.00002  -0.00002   0.00000   2.12101
   A91        1.86750   0.00000   0.00000   0.00001   0.00001   1.86751
   A92        2.08727   0.00000  -0.00001   0.00002   0.00000   2.08728
   A93        2.32831  -0.00000   0.00001  -0.00002  -0.00001   2.32829
   A94        1.86775   0.00000  -0.00000   0.00001   0.00000   1.86775
   A95        2.32789  -0.00000   0.00002  -0.00003  -0.00001   2.32788
   A96        2.08745   0.00000  -0.00001   0.00002   0.00000   2.08745
   A97        1.89934  -0.00000   0.00001  -0.00001   0.00000   1.89934
   A98        2.26243  -0.00000  -0.00003   0.00002  -0.00001   2.26242
   A99        2.12061   0.00000   0.00002  -0.00001   0.00000   2.12062
   A100       1.89816   0.00000   0.00001  -0.00001   0.00000   1.89816
   A101       2.26362  -0.00000  -0.00004   0.00002  -0.00002   2.26360
   A102       2.12043   0.00000   0.00003  -0.00001   0.00002   2.12044
   A103       1.86907  -0.00000  -0.00001   0.00000  -0.00001   1.86906
   A104       2.08811  -0.00000  -0.00002   0.00001  -0.00001   2.08810
   A105       2.32591   0.00000   0.00002  -0.00001   0.00002   2.32592
   A106       1.86835  -0.00000   0.00000  -0.00000  -0.00000   1.86835
   A107       2.32687   0.00000   0.00001   0.00000   0.00001   2.32688
   A108       2.08783  -0.00000  -0.00001   0.00000  -0.00001   2.08782
   A109       1.89915  -0.00000  -0.00000   0.00000  -0.00000   1.89915
   A110       2.26195  -0.00000  -0.00001  -0.00000  -0.00002   2.26194
   A111       2.12106   0.00000   0.00002   0.00000   0.00002   2.12107
   A112       2.07958  -0.00000   0.00000  -0.00000   0.00000   2.07958
   A113       2.09986   0.00000  -0.00002   0.00003   0.00001   2.09987
   A114       2.10372  -0.00000   0.00002  -0.00002  -0.00001   2.10371
   A115       2.10332   0.00000   0.00001   0.00000   0.00001   2.10333
   A116       2.09217  -0.00000   0.00001  -0.00002  -0.00001   2.09216
   A117       2.08765   0.00000  -0.00002   0.00002  -0.00000   2.08765
   A118       2.11940  -0.00000  -0.00000  -0.00000  -0.00000   2.11939
   A119       2.08644  -0.00000  -0.00001   0.00000  -0.00000   2.08644
   A120       2.07734   0.00000   0.00001  -0.00000   0.00001   2.07735
   A121       2.05603  -0.00000  -0.00000  -0.00000  -0.00001   2.05602
   A122       2.12242  -0.00000  -0.00003   0.00001  -0.00002   2.12240
   A123       2.10464   0.00000   0.00004  -0.00001   0.00003   2.10467
   A124       2.05444  -0.00000  -0.00002   0.00000  -0.00001   2.05442
   A125       2.12473  -0.00000  -0.00002   0.00000  -0.00002   2.12471
   A126       2.10400   0.00000   0.00004  -0.00001   0.00003   2.10404
   A127       2.12022  -0.00000  -0.00000  -0.00000  -0.00001   2.12021
   A128       2.07630   0.00000   0.00001   0.00000   0.00001   2.07631
   A129       2.08666   0.00000  -0.00000   0.00000  -0.00000   2.08666
   A130       2.10361   0.00000   0.00001   0.00000   0.00002   2.10362
   A131       2.08748   0.00000  -0.00002   0.00002  -0.00000   2.08747
   A132       2.09208  -0.00000   0.00001  -0.00002  -0.00001   2.09207
   A133       2.07868  -0.00000   0.00000  -0.00000  -0.00000   2.07868
   A134       2.10027   0.00000  -0.00002   0.00003   0.00001   2.10029
   A135       2.10422  -0.00000   0.00002  -0.00003  -0.00001   2.10420
   A136       2.07951  -0.00000   0.00000  -0.00001  -0.00001   2.07950
   A137       2.10012   0.00000  -0.00001   0.00003   0.00001   2.10013
   A138       2.10354  -0.00000   0.00001  -0.00002  -0.00001   2.10354
   A139       2.10384  -0.00000   0.00001  -0.00001   0.00000   2.10385
   A140       2.09207  -0.00000   0.00001  -0.00002  -0.00001   2.09205
   A141       2.08726   0.00000  -0.00002   0.00003   0.00001   2.08727
   A142       2.11957  -0.00000  -0.00001   0.00001  -0.00000   2.11956
   A143       2.08600   0.00000  -0.00001   0.00001   0.00000   2.08600
   A144       2.07762  -0.00000   0.00002  -0.00002   0.00000   2.07762
   A145       2.05513  -0.00000  -0.00000   0.00000  -0.00000   2.05513
   A146       2.12122   0.00000  -0.00002   0.00002  -0.00000   2.12122
   A147       2.10678  -0.00000   0.00003  -0.00002   0.00000   2.10679
   A148       2.05481   0.00000  -0.00001   0.00001   0.00000   2.05481
   A149       2.12118   0.00000  -0.00002   0.00002  -0.00000   2.12118
   A150       2.10715  -0.00000   0.00003  -0.00003  -0.00000   2.10715
   A151       2.11959  -0.00000  -0.00001   0.00000  -0.00000   2.11958
   A152       2.07775  -0.00000   0.00001  -0.00001   0.00000   2.07775
   A153       2.08583   0.00000  -0.00000   0.00001   0.00000   2.08584
   A154       2.10394  -0.00000   0.00001  -0.00001   0.00000   2.10395
   A155       2.08731   0.00000  -0.00002   0.00003   0.00001   2.08731
   A156       2.09191  -0.00000   0.00001  -0.00002  -0.00001   2.09190
   A157       2.07947  -0.00000   0.00000  -0.00000  -0.00000   2.07946
   A158       2.10021   0.00000  -0.00002   0.00003   0.00001   2.10022
   A159       2.10349  -0.00000   0.00002  -0.00002  -0.00001   2.10349
   A160       2.07900  -0.00000   0.00000  -0.00000  -0.00000   2.07900
   A161       2.10039   0.00000  -0.00002   0.00003   0.00001   2.10041
   A162       2.10377  -0.00000   0.00002  -0.00003  -0.00001   2.10376
   A163       2.10409   0.00000   0.00001   0.00000   0.00001   2.10410
   A164       2.09184  -0.00000   0.00001  -0.00002  -0.00001   2.09183
   A165       2.08721   0.00000  -0.00002   0.00002   0.00000   2.08721
   A166       2.11952  -0.00000  -0.00001   0.00000  -0.00001   2.11951
   A167       2.08657   0.00000  -0.00000   0.00000  -0.00000   2.08657
   A168       2.07708   0.00000   0.00001  -0.00000   0.00001   2.07708
   A169       2.05444   0.00000  -0.00001  -0.00000  -0.00001   2.05444
   A170       2.12481  -0.00000  -0.00002   0.00001  -0.00001   2.12480
   A171       2.10387   0.00000   0.00003  -0.00001   0.00002   2.10389
   A172       2.05505  -0.00000  -0.00001   0.00001  -0.00001   2.05504
   A173       2.12238  -0.00000  -0.00003   0.00002  -0.00001   2.12236
   A174       2.10572   0.00000   0.00004  -0.00002   0.00002   2.10574
   A175       2.11978  -0.00000  -0.00001   0.00000  -0.00001   2.11977
   A176       2.07722   0.00000   0.00001  -0.00000   0.00001   2.07723
   A177       2.08618   0.00000  -0.00000  -0.00000  -0.00000   2.08618
   A178       2.10353   0.00000   0.00001  -0.00000   0.00001   2.10354
   A179       2.08760   0.00000  -0.00002   0.00002   0.00000   2.08761
   A180       2.09204  -0.00000   0.00000  -0.00002  -0.00001   2.09202
   A181       2.07925  -0.00000  -0.00000  -0.00000  -0.00000   2.07924
   A182       2.10007   0.00000  -0.00001   0.00002   0.00001   2.10008
   A183       2.10385  -0.00000   0.00001  -0.00002  -0.00001   2.10384
    D1        0.01283  -0.00000  -0.00002  -0.00000  -0.00002   0.01281
    D2       -3.10539   0.00000  -0.00003   0.00012   0.00009  -3.10530
    D3       -3.12746  -0.00000   0.00002  -0.00004  -0.00002  -3.12749
    D4        0.03750   0.00000   0.00001   0.00008   0.00009   0.03759
    D5        0.00741   0.00000   0.00005   0.00002   0.00007   0.00748
    D6       -3.11613   0.00000   0.00003   0.00005   0.00008  -3.11605
    D7       -3.13548   0.00000   0.00002   0.00006   0.00008  -3.13541
    D8        0.02416   0.00000  -0.00001   0.00009   0.00009   0.02425
    D9       -2.26407  -0.00000  -0.00013  -0.00007  -0.00020  -2.26428
   D10        0.88314  -0.00000  -0.00013  -0.00008  -0.00021   0.88294
   D11        0.87883  -0.00000  -0.00010  -0.00011  -0.00021   0.87862
   D12       -2.25714  -0.00000  -0.00009  -0.00012  -0.00021  -2.25736
   D13       -0.02449  -0.00000  -0.00003  -0.00004  -0.00006  -0.02455
   D14        3.13672   0.00000  -0.00004   0.00001  -0.00003   3.13669
   D15        3.09299  -0.00000  -0.00002  -0.00016  -0.00018   3.09281
   D16       -0.02898  -0.00000  -0.00004  -0.00011  -0.00014  -0.02913
   D17        0.01635   0.00000   0.00004   0.00005   0.00009   0.01645
   D18       -3.12522   0.00000   0.00007   0.00006   0.00013  -3.12509
   D19        3.13881   0.00000   0.00006   0.00001   0.00006   3.13887
   D20       -0.00277   0.00000   0.00009   0.00001   0.00010  -0.00267
   D21        3.11754  -0.00001  -0.00026  -0.00021  -0.00047   3.11706
   D22       -0.03864  -0.00001  -0.00018  -0.00023  -0.00041  -0.03904
   D23       -0.00414  -0.00001  -0.00028  -0.00016  -0.00044  -0.00459
   D24        3.12287  -0.00000  -0.00020  -0.00018  -0.00038   3.12249
   D25        0.00330  -0.00000  -0.00001  -0.00003  -0.00004   0.00326
   D26        3.12745  -0.00000  -0.00002  -0.00000  -0.00003   3.12742
   D27       -3.13831  -0.00000  -0.00004  -0.00004  -0.00008  -3.13839
   D28       -0.01416  -0.00000  -0.00006  -0.00001  -0.00007  -0.01423
   D29        0.00336   0.00000   0.00008   0.00014   0.00022   0.00357
   D30       -3.13759   0.00000   0.00019   0.00001   0.00020  -3.13739
   D31       -3.13822   0.00000   0.00012   0.00014   0.00026  -3.13796
   D32        0.00402   0.00000   0.00023   0.00002   0.00024   0.00426
   D33       -0.01537  -0.00000  -0.00004  -0.00000  -0.00004  -0.01541
   D34        3.10800  -0.00000  -0.00001  -0.00004  -0.00005   3.10795
   D35       -3.13910  -0.00000  -0.00002  -0.00003  -0.00005  -3.13915
   D36       -0.01573  -0.00000   0.00000  -0.00007  -0.00006  -0.01579
   D37        0.01028   0.00001   0.00029   0.00016   0.00045   0.01073
   D38       -3.13357   0.00001   0.00020   0.00012   0.00032  -3.13325
   D39       -3.11711   0.00001   0.00021   0.00018   0.00038  -3.11673
   D40        0.02223   0.00001   0.00012   0.00014   0.00025   0.02249
   D41        3.13178  -0.00000  -0.00013  -0.00007  -0.00021   3.13158
   D42       -0.04083  -0.00000  -0.00015  -0.00004  -0.00019  -0.04102
   D43       -0.02406  -0.00000  -0.00005  -0.00009  -0.00014  -0.02420
   D44        3.08651  -0.00000  -0.00007  -0.00006  -0.00013   3.08639
   D45       -0.00966  -0.00000  -0.00011  -0.00001  -0.00013  -0.00979
   D46        3.12887  -0.00001  -0.00028   0.00001  -0.00027   3.12860
   D47        3.13424  -0.00000  -0.00002   0.00003   0.00001   3.13425
   D48       -0.01041  -0.00000  -0.00019   0.00005  -0.00014  -0.01055
   D49       -0.00439  -0.00000  -0.00008  -0.00009  -0.00017  -0.00456
   D50        3.12205  -0.00000  -0.00010   0.00004  -0.00006   3.12199
   D51        3.13489  -0.00000  -0.00017  -0.00013  -0.00030   3.13459
   D52       -0.02185  -0.00000  -0.00019  -0.00000  -0.00019  -0.02204
   D53        0.00290  -0.00000  -0.00007  -0.00014  -0.00021   0.00269
   D54       -3.13937  -0.00000  -0.00019  -0.00001  -0.00019  -3.13956
   D55       -3.13580   0.00000   0.00009  -0.00016  -0.00007  -3.13586
   D56        0.00512   0.00000  -0.00002  -0.00003  -0.00005   0.00507
   D57        3.13705  -0.00000   0.00011   0.00002   0.00013   3.13718
   D58       -0.02126   0.00000   0.00036   0.00005   0.00041  -0.02084
   D59       -0.03005  -0.00001   0.00078  -0.00032   0.00046  -0.02959
   D60       -0.00750  -0.00000  -0.00005   0.00004  -0.00001  -0.00751
   D61        3.11738   0.00000   0.00020   0.00007   0.00027   3.11765
   D62        3.10858  -0.00001   0.00062  -0.00030   0.00032   3.10890
   D63        3.13983   0.00000  -0.00004   0.00011   0.00007   3.13990
   D64       -0.00110   0.00000   0.00007  -0.00002   0.00005  -0.00104
   D65        0.00750  -0.00000  -0.00005  -0.00001  -0.00006   0.00744
   D66       -3.13496  -0.00000  -0.00002  -0.00003  -0.00006  -3.13502
   D67       -3.10388  -0.00000  -0.00003  -0.00004  -0.00007  -3.10395
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   D292      -0.00615  -0.00000   0.00005  -0.00003   0.00002  -0.00613
   D293       0.00881  -0.00000   0.00001  -0.00000   0.00000   0.00881
   D294      -3.12590  -0.00000  -0.00003   0.00002  -0.00002  -3.12592
   D295      -3.13952   0.00000   0.00000  -0.00000   0.00000  -3.13952
   D296       0.00896   0.00000  -0.00003   0.00002  -0.00002   0.00894
         Item               Value     Threshold  Converged?
 Maximum Force            0.000049     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.004676     0.001800     NO 
 RMS     Displacement     0.000894     0.001200     YES
 Predicted change in Energy=-5.318101D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.034958    2.958416    0.093217
      2          6           0       -2.307932    1.594579    0.014360
      3          6           0       -1.276966    0.637455    0.001090
      4          6           0        0.060458    1.095759    0.039792
      5          6           0        0.326657    2.476614    0.110008
      6          6           0       -0.699127    3.400454    0.145999
      7          6           0       -1.551352   -0.807031   -0.075798
      8          6           0       -0.481420   -1.749900   -0.117329
      9          6           0        0.887079   -1.270499   -0.069356
     10          6           0        1.166458    0.144444    0.007240
     11          6           0       -2.867290   -1.291642   -0.092599
     12          6           0       -3.149730   -2.655645   -0.176918
     13          6           0       -2.087964   -3.575647   -0.238197
     14          6           0       -0.782201   -3.128504   -0.201297
     15          7           0        1.943863   -2.102943   -0.089664
     16          6           0        3.229730   -1.649484   -0.049534
     17          6           0        3.445451   -0.241181    0.023608
     18          7           0        2.403100    0.618787    0.050396
     19          6           0        4.331203   -2.539796   -0.074137
     20          6           0        5.603144   -2.022318   -0.029507
     21          6           0        5.839098   -0.614641    0.024015
     22          6           0        4.769026    0.259822    0.047930
     23          7           0       -3.093980    3.893260    0.121656
     24          7           0       -4.485612   -3.101643   -0.199053
     25          7           0        7.164759   -0.140103    0.074968
     26          6           0       -5.016778   -4.144748    0.582812
     27          6           0       -6.394778   -4.280912    0.286373
     28          6           0       -6.713981   -3.287649   -0.718822
     29          6           0       -5.520327   -2.576674   -0.994603
     30          6           0       -3.208188    5.027918   -0.698193
     31          6           0       -4.402271    5.714473   -0.365997
     32          6           0       -5.036799    4.968492    0.701338
     33          6           0       -4.208346    3.852414    0.976500
     34          6           0        7.669731    0.810578    0.981034
     35          6           0        9.047555    1.005048    0.716365
     36          6           0        9.391925    0.147544   -0.399603
     37          6           0        8.213020   -0.543365   -0.771560
     38          6           0       -7.887552   -2.964029   -1.407810
     39          6           0       -7.856198   -1.951262   -2.361922
     40          6           0       -6.659881   -1.271527   -2.640855
     41          6           0       -5.477501   -1.575273   -1.968294
     42          6           0       -4.398816   -4.931813    1.557989
     43          6           0       -5.178407   -5.884052    2.211970
     44          6           0       -6.541143   -6.045693    1.914625
     45          6           0       -7.155891   -5.243604    0.957970
     46          6           0       -6.207955    5.159489    1.442855
     47          6           0       -6.531626    4.249786    2.444893
     48          6           0       -5.689819    3.159247    2.717857
     49          6           0       -4.518327    2.946207    1.993917
     50          6           0       -2.375950    5.467305   -1.731127
     51          6           0       -2.743673    6.626521   -2.411563
     52          6           0       -3.914013    7.329487   -2.081954
     53          6           0       -4.748936    6.875842   -1.065188
     54          6           0       10.575831   -0.071931   -1.111677
     55          6           0       10.567638   -0.962362   -2.181332
     56          6           0        9.384998   -1.622370   -2.551612
     57          6           0        8.192048   -1.419289   -1.860050
     58          6           0        7.029522    1.466354    2.035241
     59          6           0        7.787057    2.343449    2.809431
     60          6           0        9.149211    2.561795    2.548192
     61          6           0        9.785515    1.892079    1.507351
     62          1           0       -3.344292    1.293887   -0.059162
     63          1           0        1.360421    2.797295    0.151840
     64          1           0       -0.486637    4.460019    0.231353
     65          1           0       -3.702366   -0.609946   -0.010927
     66          1           0       -2.291071   -4.635500   -0.336615
     67          1           0        0.013677   -3.867843   -0.252762
     68          1           0        1.863669   -3.219748   -0.125043
     69          1           0        4.139569   -3.608390   -0.107316
     70          1           0        6.454486   -2.693226   -0.012226
     71          1           0        4.910276    1.333362    0.067775
     72          1           0       -8.808658   -3.502354   -1.204636
     73          1           0       -8.760499   -1.689170   -2.902043
     74          1           0       -6.649814   -0.494725   -3.399403
     75          1           0       -4.556929   -1.056499   -2.209420
     76          1           0       -3.351724   -4.810277    1.809288
     77          1           0       -4.717424   -6.510945    2.969084
     78          1           0       -7.119144   -6.798789    2.440905
     79          1           0       -8.213354   -5.357959    0.738330
     80          1           0       -6.852048    6.010453    1.241301
     81          1           0       -7.438552    4.385359    3.025646
     82          1           0       -5.952487    2.466112    3.511282
     83          1           0       -3.869416    2.109022    2.224682
     84          1           0       -1.478217    4.925073   -2.005504
     85          1           0       -2.111025    6.988565   -3.216400
     86          1           0       -4.170955    8.230047   -2.630778
     87          1           0       -5.661263    7.411823   -0.820268
     88          1           0       11.486787    0.451284   -0.836220
     89          1           0       11.479978   -1.143105   -2.740878
     90          1           0        9.393730   -2.302323   -3.397969
     91          1           0        7.282605   -1.920387   -2.171401
     92          1           0        5.982094    1.297658    2.256613
     93          1           0        7.309720    2.865559    3.633142
     94          1           0        9.709947    3.254182    3.168151
     95          1           0       10.842526    2.049797    1.314160
     96         17           0        2.048467   -5.021895   -0.160913
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463336           0.0189099           0.0145415
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.3033463441 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000037   -0.000002   -0.000005 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -2888.58794011     A.U. after    7 cycles
            NFock=  7  Conv=0.46D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002974    0.000002560    0.000001089
      2        6          -0.000001370   -0.000004377    0.000001391
      3        6           0.000000751    0.000012295    0.000000899
      4        6          -0.000004918   -0.000000099    0.000001844
      5        6           0.000002000    0.000000401    0.000000183
      6        6          -0.000001262    0.000000871   -0.000005785
      7        6           0.000021244   -0.000010003    0.000001140
      8        6          -0.000030183   -0.000003820   -0.000004065
      9        6           0.000021972    0.000026623    0.000007870
     10        6          -0.000009311   -0.000022656   -0.000001526
     11        6          -0.000010094   -0.000007552    0.000005449
     12        6           0.000014942    0.000009240   -0.000001941
     13        6          -0.000003504   -0.000000712   -0.000000147
     14        6           0.000007146   -0.000003978   -0.000004565
     15        7          -0.000012135   -0.000017584   -0.000006555
     16        6           0.000016508   -0.000000108    0.000000415
     17        6          -0.000008513    0.000007315    0.000001922
     18        7           0.000015834    0.000006077    0.000000843
     19        6          -0.000015233   -0.000002299   -0.000003421
     20        6           0.000007546    0.000016410    0.000003270
     21        6          -0.000000430   -0.000021378    0.000001048
     22        6          -0.000003097    0.000002342    0.000000173
     23        7           0.000010799   -0.000005252    0.000000367
     24        7          -0.000014186   -0.000008703    0.000007765
     25        7           0.000005512    0.000011966   -0.000005083
     26        6           0.000002452    0.000005645   -0.000002784
     27        6          -0.000006864    0.000008003    0.000006241
     28        6           0.000006275   -0.000009612   -0.000006336
     29        6           0.000001081   -0.000001638   -0.000004804
     30        6          -0.000001607    0.000011302    0.000000379
     31        6           0.000000077   -0.000004217   -0.000002532
     32        6           0.000003345    0.000001806    0.000002783
     33        6          -0.000009344   -0.000004679   -0.000000888
     34        6          -0.000000824   -0.000004551    0.000001182
     35        6           0.000004875   -0.000007696    0.000002590
     36        6          -0.000003103    0.000007971   -0.000001589
     37        6          -0.000003171   -0.000001363    0.000003473
     38        6          -0.000002137    0.000001585    0.000006482
     39        6           0.000000721    0.000002155   -0.000003164
     40        6          -0.000002073    0.000000585    0.000000711
     41        6           0.000001119    0.000000854    0.000001779
     42        6           0.000000722    0.000000268    0.000000932
     43        6          -0.000000433   -0.000001585   -0.000001389
     44        6           0.000002013    0.000000123    0.000004156
     45        6           0.000001065   -0.000002417   -0.000007322
     46        6          -0.000000245    0.000001706   -0.000005349
     47        6           0.000000381   -0.000002827    0.000004194
     48        6          -0.000002259    0.000000788   -0.000000373
     49        6           0.000001294    0.000000600    0.000000340
     50        6           0.000000454   -0.000001558   -0.000000565
     51        6          -0.000001875    0.000001401    0.000000906
     52        6           0.000002500    0.000001013   -0.000003908
     53        6          -0.000001454   -0.000000468    0.000005195
     54        6           0.000000873   -0.000001270    0.000005263
     55        6          -0.000000627   -0.000001450   -0.000003777
     56        6           0.000001578    0.000000047    0.000000449
     57        6          -0.000000736   -0.000000569   -0.000000768
     58        6          -0.000000679    0.000000675   -0.000000822
     59        6           0.000000130    0.000000831   -0.000000560
     60        6          -0.000001261    0.000000482    0.000002599
     61        6          -0.000000157    0.000002135   -0.000004529
     62        1           0.000002511    0.000001821   -0.000003771
     63        1          -0.000000571    0.000000307   -0.000000496
     64        1           0.000001260   -0.000000982    0.000001776
     65        1           0.000002402   -0.000000877    0.000002033
     66        1           0.000000286    0.000000971   -0.000001392
     67        1           0.000003925    0.000001488   -0.000001202
     68        1          -0.000005334    0.000008852   -0.000000297
     69        1           0.000000948   -0.000001117    0.000000475
     70        1          -0.000002143   -0.000001348   -0.000001691
     71        1           0.000000614   -0.000000439    0.000000083
     72        1           0.000000010   -0.000000119   -0.000001628
     73        1          -0.000000623    0.000000108    0.000001266
     74        1           0.000000521   -0.000000640   -0.000000575
     75        1          -0.000000265   -0.000000621   -0.000000586
     76        1          -0.000000504    0.000000116   -0.000000300
     77        1          -0.000000401    0.000000696    0.000000590
     78        1           0.000000010   -0.000000956   -0.000001860
     79        1          -0.000000349    0.000000200    0.000001974
     80        1           0.000000202   -0.000000001    0.000001070
     81        1          -0.000000267   -0.000000168   -0.000001126
     82        1           0.000000798    0.000000099    0.000000148
     83        1          -0.000000892    0.000000520    0.000001229
     84        1          -0.000000807    0.000000640   -0.000000745
     85        1           0.000000126   -0.000000774   -0.000000165
     86        1          -0.000000157    0.000000310    0.000001365
     87        1           0.000000066    0.000000002   -0.000000953
     88        1          -0.000000006    0.000000332   -0.000001517
     89        1           0.000000547   -0.000000321    0.000001250
     90        1          -0.000000382    0.000000556   -0.000000325
     91        1           0.000000363    0.000001139   -0.000000746
     92        1           0.000000174    0.000000336    0.000000519
     93        1           0.000000143   -0.000000697    0.000000213
     94        1           0.000000144    0.000000319   -0.000000829
     95        1           0.000000054   -0.000000258    0.000000951
     96       17          -0.000001555   -0.000001146    0.000004493
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000030183 RMS     0.000005482

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000016240 RMS     0.000002470
 Search for a local minimum.
 Step number  25 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16   17   18
                                                     19   20   21   22   23
                                                     24   25
 DE= -7.21D-08 DEPred=-5.32D-08 R= 1.36D+00
 Trust test= 1.36D+00 RLast= 2.36D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0  1  0
     Eigenvalues ---    0.00204   0.00776   0.00906   0.01581   0.02080
     Eigenvalues ---    0.02279   0.02667   0.02713   0.02726   0.02735
     Eigenvalues ---    0.02745   0.02748   0.02753   0.02759   0.02770
     Eigenvalues ---    0.02775   0.02786   0.02788   0.02792   0.02793
     Eigenvalues ---    0.02794   0.02795   0.02798   0.02810   0.02816
     Eigenvalues ---    0.02817   0.02819   0.02819   0.02820   0.02822
     Eigenvalues ---    0.02829   0.02832   0.02833   0.02837   0.02843
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02848   0.02855   0.02857   0.02859   0.02867
     Eigenvalues ---    0.02868   0.02868   0.02869   0.02871   0.02872
     Eigenvalues ---    0.02872   0.02875   0.02876   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02883   0.02883   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02887   0.02889   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02902   0.02904
     Eigenvalues ---    0.02909   0.02910   0.02914   0.02937   0.02942
     Eigenvalues ---    0.02946   0.02967   0.03024   0.03028   0.03037
     Eigenvalues ---    0.03124   0.03127   0.03131   0.03138   0.03148
     Eigenvalues ---    0.03190   0.03291   0.03520   0.05651   0.11637
     Eigenvalues ---    0.15050   0.15676   0.15763   0.15947   0.15975
     Eigenvalues ---    0.15996   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16003   0.16009   0.16031
     Eigenvalues ---    0.16051   0.16086   0.16184   0.16378   0.21542
     Eigenvalues ---    0.21967   0.21996   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22001   0.22337   0.22461   0.22513   0.22597
     Eigenvalues ---    0.22600   0.22602   0.22606   0.22638   0.22698
     Eigenvalues ---    0.22876   0.23449   0.23512   0.23819   0.24092
     Eigenvalues ---    0.24393   0.24477   0.24482   0.24509   0.24516
     Eigenvalues ---    0.24628   0.24667   0.24772   0.24952   0.24963
     Eigenvalues ---    0.24966   0.24970   0.24974   0.24977   0.24990
     Eigenvalues ---    0.25000   0.25011   0.25022   0.25042   0.25149
     Eigenvalues ---    0.25218   0.25566   0.26867   0.30390   0.33242
     Eigenvalues ---    0.33248   0.33253   0.33255   0.33256   0.33280
     Eigenvalues ---    0.33293   0.33324   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33397   0.33399   0.33455   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33666   0.33793
     Eigenvalues ---    0.33849   0.33866   0.33884   0.33897   0.33905
     Eigenvalues ---    0.33910   0.33935   0.33964   0.34200   0.34354
     Eigenvalues ---    0.34780   0.35952   0.36324   0.44461   0.44474
     Eigenvalues ---    0.44692   0.45263   0.46306   0.48086   0.48774
     Eigenvalues ---    0.48941   0.49115   0.49618   0.49808   0.50147
     Eigenvalues ---    0.50207   0.50355   0.50395   0.50592   0.50613
     Eigenvalues ---    0.50673   0.50964   0.51999   0.52535   0.52984
     Eigenvalues ---    0.53813   0.54071   0.54194   0.54198   0.54210
     Eigenvalues ---    0.54275   0.54600   0.54866   0.55256   0.55421
     Eigenvalues ---    0.55481   0.55570   0.55706   0.55831   0.55901
     Eigenvalues ---    0.55939   0.56094   0.56128   0.56147   0.56218
     Eigenvalues ---    0.56322   0.56469   0.56631   0.56664   0.56665
     Eigenvalues ---    0.56666   0.56683   0.56693   0.56764   0.56819
     Eigenvalues ---    0.56895   0.56915   0.57072   0.57160   0.57161
     Eigenvalues ---    0.57167   0.57172   0.57176   0.59281   0.61341
     Eigenvalues ---    0.62412   0.64209   0.65998   0.66782   0.67588
     Eigenvalues ---    0.67723   0.68349   0.69183   0.69923   0.73342
     Eigenvalues ---    0.76047   0.81071
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    25   24   23   22   21   20   19   18   17   16
 RFO step:  Lambda=-5.05713624D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 RFO-DIIS uses    5 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.81638   -0.79893    0.00070   -0.06318    0.04503
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00050317 RMS(Int)=  0.00000021
 Iteration  2 RMS(Cart)=  0.00000015 RMS(Int)=  0.00000019
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63261   0.00000   0.00001   0.00001   0.00002   2.63263
    R2        2.66085   0.00000  -0.00002   0.00001  -0.00001   2.66084
    R3        2.66998  -0.00000   0.00002  -0.00002  -0.00000   2.66998
    R4        2.65851   0.00000  -0.00001   0.00000  -0.00001   2.65851
    R5        2.04393  -0.00000  -0.00000  -0.00001  -0.00001   2.04392
    R6        2.67264   0.00000   0.00002  -0.00001   0.00001   2.67265
    R7        2.78229   0.00001  -0.00001   0.00002   0.00001   2.78230
    R8        2.66079  -0.00000  -0.00000   0.00000  -0.00000   2.66079
    R9        2.75751   0.00000  -0.00004   0.00002  -0.00002   2.75749
   R10        2.60961   0.00000  -0.00000   0.00000   0.00000   2.60961
   R11        2.04689  -0.00000   0.00001  -0.00001  -0.00000   2.04689
   R12        2.04851  -0.00000   0.00000  -0.00000  -0.00000   2.04851
   R13        2.69608  -0.00002  -0.00002  -0.00002  -0.00004   2.69604
   R14        2.65022   0.00001   0.00002   0.00001   0.00003   2.65024
   R15        2.74168   0.00001   0.00001   0.00003   0.00004   2.74172
   R16        2.67119   0.00000  -0.00002   0.00001  -0.00001   2.67118
   R17        2.72932  -0.00002  -0.00006   0.00000  -0.00005   2.72927
   R18        2.54248  -0.00001  -0.00005   0.00002  -0.00003   2.54245
   R19        2.50426   0.00001   0.00002   0.00001   0.00003   2.50429
   R20        2.63709  -0.00000  -0.00003   0.00001  -0.00002   2.63707
   R21        2.04294  -0.00000  -0.00000  -0.00000  -0.00000   2.04294
   R22        2.65741   0.00000  -0.00004   0.00001  -0.00002   2.65738
   R23        2.66175   0.00001   0.00012  -0.00003   0.00009   2.66184
   R24        2.60913   0.00000   0.00002  -0.00001   0.00001   2.60914
   R25        2.04774  -0.00000   0.00000  -0.00000  -0.00000   2.04774
   R26        2.05511   0.00000  -0.00002   0.00001  -0.00000   2.05511
   R27        2.57772   0.00001   0.00000   0.00001   0.00001   2.57773
   R28        2.11695  -0.00001   0.00003  -0.00005  -0.00002   2.11693
   R29        5.52120  -0.00000   0.00004  -0.00006  -0.00002   5.52118
   R30        2.69589   0.00001   0.00002  -0.00000   0.00002   2.69591
   R31        2.67682  -0.00001  -0.00004  -0.00000  -0.00004   2.67678
   R32        2.55411  -0.00000   0.00001  -0.00002  -0.00001   2.55410
   R33        2.67478  -0.00000   0.00002  -0.00001   0.00001   2.67479
   R34        2.59630   0.00001   0.00001   0.00001   0.00002   2.59632
   R35        2.05252   0.00000  -0.00001   0.00001   0.00000   2.05253
   R36        2.69913  -0.00001  -0.00001  -0.00001  -0.00003   2.69910
   R37        2.04859  -0.00000  -0.00000  -0.00000  -0.00000   2.04859
   R38        2.61187   0.00000  -0.00003   0.00002  -0.00000   2.61186
   R39        2.66254   0.00001   0.00007  -0.00002   0.00005   2.66259
   R40        2.04653  -0.00000   0.00000  -0.00000  -0.00000   2.04652
   R41        2.65414   0.00001   0.00003   0.00000   0.00003   2.65417
   R42        2.65521   0.00001   0.00002   0.00000   0.00003   2.65524
   R43        2.66010  -0.00001  -0.00004   0.00000  -0.00004   2.66006
   R44        2.65849   0.00000  -0.00004   0.00001  -0.00004   2.65846
   R45        2.65891  -0.00000  -0.00002   0.00000  -0.00002   2.65889
   R46        2.65779  -0.00000  -0.00002  -0.00001  -0.00002   2.65777
   R47        2.67602   0.00000  -0.00000   0.00001   0.00001   2.67602
   R48        2.64043   0.00000  -0.00001   0.00001  -0.00000   2.64042
   R49        2.73774  -0.00000   0.00000  -0.00001  -0.00000   2.73774
   R50        2.64367   0.00000  -0.00000   0.00000   0.00000   2.64367
   R51        2.67672   0.00000   0.00000   0.00000   0.00001   2.67672
   R52        2.64339   0.00000  -0.00000   0.00000   0.00000   2.64339
   R53        2.64069  -0.00000  -0.00001   0.00000  -0.00000   2.64069
   R54        2.67751  -0.00000  -0.00002   0.00001  -0.00001   2.67750
   R55        2.64064   0.00000  -0.00001   0.00001  -0.00000   2.64064
   R56        2.73738  -0.00000   0.00001  -0.00001  -0.00000   2.73738
   R57        2.64415  -0.00000  -0.00001   0.00000  -0.00001   2.64414
   R58        2.67760  -0.00000  -0.00002   0.00001  -0.00001   2.67759
   R59        2.64422  -0.00000  -0.00001   0.00000  -0.00001   2.64421
   R60        2.64051   0.00000  -0.00001   0.00001   0.00000   2.64051
   R61        2.67666   0.00000  -0.00001   0.00001   0.00000   2.67666
   R62        2.63971   0.00000  -0.00001   0.00001  -0.00000   2.63971
   R63        2.73801  -0.00000   0.00001  -0.00001  -0.00000   2.73801
   R64        2.64364   0.00000  -0.00000   0.00000  -0.00000   2.64364
   R65        2.67616   0.00000  -0.00001   0.00001   0.00000   2.67617
   R66        2.64349   0.00000  -0.00000   0.00000  -0.00000   2.64349
   R67        2.64055   0.00000  -0.00001   0.00001  -0.00000   2.64054
   R68        2.63005   0.00000   0.00000   0.00000   0.00001   2.63006
   R69        2.05234  -0.00000   0.00000  -0.00000  -0.00000   2.05234
   R70        2.65304  -0.00000  -0.00001   0.00000  -0.00000   2.65304
   R71        2.05119  -0.00000   0.00000  -0.00000   0.00000   2.05119
   R72        2.63386   0.00000   0.00000  -0.00000   0.00000   2.63386
   R73        2.05183  -0.00000   0.00000  -0.00000   0.00000   2.05183
   R74        2.04817  -0.00000   0.00000   0.00000   0.00000   2.04817
   R75        2.63359   0.00000   0.00000  -0.00000   0.00000   2.63359
   R76        2.04783  -0.00000   0.00001  -0.00000   0.00000   2.04783
   R77        2.65343  -0.00000  -0.00001   0.00000  -0.00000   2.65342
   R78        2.05166  -0.00000   0.00000  -0.00000  -0.00000   2.05166
   R79        2.62967   0.00000   0.00001   0.00000   0.00001   2.62968
   R80        2.05121  -0.00000   0.00000  -0.00000   0.00000   2.05121
   R81        2.05237  -0.00000   0.00000  -0.00000  -0.00000   2.05237
   R82        2.62964   0.00000   0.00001   0.00000   0.00001   2.62965
   R83        2.05244  -0.00000  -0.00000  -0.00000  -0.00000   2.05244
   R84        2.65399  -0.00000  -0.00001   0.00000  -0.00001   2.65398
   R85        2.05117  -0.00000   0.00000  -0.00000  -0.00000   2.05117
   R86        2.63335   0.00000   0.00000   0.00000   0.00000   2.63336
   R87        2.05186  -0.00000   0.00000  -0.00000  -0.00000   2.05186
   R88        2.04860  -0.00000   0.00000  -0.00001  -0.00000   2.04860
   R89        2.63344   0.00000   0.00001  -0.00000   0.00000   2.63344
   R90        2.04861  -0.00000  -0.00000  -0.00000  -0.00000   2.04861
   R91        2.65404  -0.00000  -0.00001   0.00000  -0.00001   2.65403
   R92        2.05197  -0.00000   0.00000  -0.00000  -0.00000   2.05197
   R93        2.62985   0.00000   0.00001   0.00000   0.00001   2.62985
   R94        2.05123  -0.00000   0.00000  -0.00000  -0.00000   2.05123
   R95        2.05242  -0.00000  -0.00000  -0.00000  -0.00000   2.05242
   R96        2.63011   0.00000   0.00000   0.00000   0.00001   2.63012
   R97        2.05231  -0.00000   0.00000  -0.00000  -0.00000   2.05231
   R98        2.65327  -0.00000  -0.00001   0.00000  -0.00000   2.65326
   R99        2.05114  -0.00000   0.00000  -0.00000   0.00000   2.05114
   R100       2.63387   0.00000   0.00000  -0.00000   0.00000   2.63387
   R101       2.05166  -0.00000   0.00000  -0.00000  -0.00000   2.05166
   R102       2.04852  -0.00000   0.00000  -0.00000   0.00000   2.04852
   R103       2.63380   0.00000   0.00000  -0.00000   0.00000   2.63380
   R104       2.04804  -0.00000   0.00000  -0.00000   0.00000   2.04804
   R105       2.65329  -0.00000  -0.00001   0.00000  -0.00000   2.65329
   R106       2.05185  -0.00000   0.00000  -0.00000  -0.00000   2.05185
   R107       2.62988   0.00000   0.00000   0.00000   0.00001   2.62989
   R108       2.05118  -0.00000   0.00000  -0.00000   0.00000   2.05118
   R109       2.05231  -0.00000   0.00000  -0.00000  -0.00000   2.05231
   R110       3.42409   0.00000  -0.00001   0.00002   0.00001   3.42410
    A1        2.08903  -0.00000   0.00002  -0.00002  -0.00001   2.08903
    A2        2.09672   0.00000  -0.00002   0.00003   0.00001   2.09673
    A3        2.09743  -0.00000   0.00000  -0.00000  -0.00000   2.09742
    A4        2.12114  -0.00000  -0.00001   0.00001   0.00000   2.12115
    A5        2.05303  -0.00000  -0.00000   0.00000   0.00000   2.05303
    A6        2.10877   0.00000   0.00001  -0.00001  -0.00001   2.10876
    A7        2.06267  -0.00000  -0.00000   0.00000  -0.00000   2.06267
    A8        2.13105   0.00000  -0.00001   0.00001  -0.00000   2.13105
    A9        2.08930  -0.00000   0.00002  -0.00001   0.00000   2.08931
   A10        2.09202   0.00000   0.00000  -0.00000  -0.00000   2.09202
   A11        2.10003  -0.00000  -0.00002   0.00001  -0.00001   2.10003
   A12        2.09113  -0.00000   0.00001  -0.00000   0.00001   2.09114
   A13        2.11407  -0.00000  -0.00000   0.00000   0.00000   2.11408
   A14        2.06315   0.00000  -0.00001   0.00002   0.00000   2.06316
   A15        2.10582  -0.00000   0.00001  -0.00002  -0.00000   2.10582
   A16        2.08715   0.00000  -0.00000   0.00001   0.00000   2.08716
   A17        2.08951   0.00000  -0.00000   0.00001   0.00001   2.08953
   A18        2.10638  -0.00000   0.00000  -0.00002  -0.00002   2.10636
   A19        2.10614  -0.00000  -0.00001   0.00001   0.00000   2.10614
   A20        2.11123   0.00001   0.00003  -0.00001   0.00002   2.11125
   A21        2.06572  -0.00000  -0.00002  -0.00000  -0.00002   2.06570
   A22        2.08064  -0.00000  -0.00003   0.00001  -0.00002   2.08062
   A23        2.07910   0.00001   0.00005   0.00000   0.00005   2.07915
   A24        2.12344  -0.00001  -0.00002  -0.00001  -0.00003   2.12342
   A25        2.10358   0.00001   0.00003  -0.00002   0.00002   2.10359
   A26        2.13642  -0.00002  -0.00007   0.00002  -0.00005   2.13638
   A27        2.04318   0.00001   0.00004  -0.00001   0.00003   2.04321
   A28        2.08663  -0.00000  -0.00000   0.00001   0.00000   2.08663
   A29        2.06373   0.00000   0.00004  -0.00003   0.00001   2.06374
   A30        2.13283  -0.00000  -0.00003   0.00002  -0.00001   2.13281
   A31        2.12750  -0.00000  -0.00004   0.00001  -0.00003   2.12747
   A32        2.10135   0.00000   0.00003  -0.00001   0.00002   2.10136
   A33        2.05394   0.00000   0.00001   0.00000   0.00001   2.05396
   A34        2.08207   0.00000   0.00007  -0.00002   0.00005   2.08211
   A35        2.09717  -0.00000  -0.00002  -0.00000  -0.00002   2.09715
   A36        2.10395  -0.00000  -0.00005   0.00002  -0.00003   2.10392
   A37        2.09558  -0.00000  -0.00003   0.00001  -0.00002   2.09556
   A38        2.09707   0.00000  -0.00003   0.00002  -0.00001   2.09707
   A39        2.09029   0.00000   0.00006  -0.00003   0.00002   2.09032
   A40        2.11610  -0.00000  -0.00003  -0.00000  -0.00003   2.11607
   A41        2.10613  -0.00000   0.00000   0.00000   0.00000   2.10614
   A42        2.06086   0.00001   0.00003  -0.00000   0.00003   2.06089
   A43        2.13448  -0.00000   0.00003  -0.00003   0.00000   2.13449
   A44        2.16648  -0.00000  -0.00002  -0.00002  -0.00004   2.16643
   A45        2.27396  -0.00000  -0.00012   0.00008  -0.00004   2.27392
   A46        1.98212   0.00000  -0.00002   0.00005   0.00004   1.98216
   A47        1.87453   0.00001   0.00007  -0.00005   0.00002   1.87455
   A48        2.06260  -0.00000  -0.00006   0.00003  -0.00003   2.06258
   A49        2.12182   0.00000   0.00006  -0.00005   0.00000   2.12183
   A50        2.09875   0.00000   0.00000   0.00002   0.00002   2.09878
   A51        2.10890   0.00000   0.00002  -0.00001   0.00001   2.10891
   A52        2.08484  -0.00000  -0.00000  -0.00002  -0.00002   2.08482
   A53        2.08933   0.00000  -0.00002   0.00003   0.00000   2.08933
   A54        2.08436  -0.00000  -0.00000  -0.00001  -0.00001   2.08435
   A55        2.07441  -0.00000   0.00000  -0.00001  -0.00001   2.07440
   A56        2.07339   0.00000   0.00003  -0.00001   0.00002   2.07342
   A57        2.13518  -0.00000  -0.00004   0.00002  -0.00002   2.13516
   A58        2.12393   0.00000  -0.00001   0.00000  -0.00001   2.12393
   A59        2.08801  -0.00000   0.00002  -0.00003  -0.00001   2.08800
   A60        2.07100   0.00000  -0.00001   0.00003   0.00002   2.07102
   A61        2.09012   0.00000   0.00003  -0.00001   0.00002   2.09015
   A62        2.08142   0.00000  -0.00002   0.00002   0.00001   2.08142
   A63        2.11149  -0.00000  -0.00001  -0.00001  -0.00003   2.11146
   A64        2.09408  -0.00000  -0.00002   0.00001  -0.00001   2.09407
   A65        2.06366   0.00000  -0.00000   0.00001   0.00000   2.06367
   A66        2.12529  -0.00000   0.00003  -0.00002   0.00001   2.12530
   A67        2.19411   0.00000   0.00001  -0.00001   0.00000   2.19411
   A68        2.19873   0.00000  -0.00000   0.00001   0.00001   2.19874
   A69        1.89034  -0.00000  -0.00001  -0.00000  -0.00001   1.89033
   A70        2.19417  -0.00000  -0.00003   0.00001  -0.00002   2.19415
   A71        2.19974   0.00000   0.00001  -0.00001   0.00000   2.19975
   A72        1.88923   0.00000   0.00002   0.00000   0.00002   1.88925
   A73        2.20003  -0.00000  -0.00001   0.00000  -0.00001   2.20002
   A74        2.19313   0.00000   0.00001  -0.00000   0.00000   2.19313
   A75        1.89002   0.00000   0.00001   0.00000   0.00001   1.89003
   A76        1.89882   0.00000   0.00000  -0.00000   0.00000   1.89882
   A77        2.26292  -0.00000  -0.00003   0.00002  -0.00001   2.26291
   A78        2.12036  -0.00000   0.00003  -0.00002   0.00002   2.12037
   A79        1.86892  -0.00000  -0.00001   0.00000  -0.00001   1.86891
   A80        2.08874  -0.00000  -0.00002   0.00001  -0.00001   2.08873
   A81        2.32541   0.00000   0.00003  -0.00001   0.00002   2.32543
   A82        1.86873  -0.00000  -0.00001   0.00000  -0.00001   1.86872
   A83        2.32569   0.00000   0.00002  -0.00000   0.00002   2.32571
   A84        2.08861  -0.00000  -0.00001   0.00000  -0.00001   2.08860
   A85        1.89907  -0.00000  -0.00000  -0.00000  -0.00000   1.89906
   A86        2.26387   0.00000  -0.00001   0.00000  -0.00000   2.26387
   A87        2.11904   0.00000   0.00001  -0.00000   0.00001   2.11905
   A88        1.89983  -0.00000  -0.00000  -0.00000  -0.00000   1.89983
   A89        2.26151   0.00000  -0.00001   0.00001   0.00001   2.26152
   A90        2.12101  -0.00000   0.00001  -0.00001  -0.00001   2.12101
   A91        1.86751   0.00000   0.00001   0.00000   0.00001   1.86752
   A92        2.08728   0.00000   0.00000   0.00001   0.00001   2.08729
   A93        2.32829  -0.00000  -0.00001  -0.00001  -0.00002   2.32828
   A94        1.86775   0.00000   0.00000   0.00000   0.00001   1.86776
   A95        2.32788  -0.00000  -0.00000  -0.00001  -0.00002   2.32787
   A96        2.08745   0.00000   0.00000   0.00001   0.00001   2.08746
   A97        1.89934  -0.00000   0.00000  -0.00000  -0.00000   1.89934
   A98        2.26242   0.00000  -0.00001   0.00002   0.00001   2.26243
   A99        2.12062  -0.00000   0.00001  -0.00002  -0.00001   2.12061
   A100       1.89816  -0.00000   0.00000  -0.00000  -0.00000   1.89816
   A101       2.26360   0.00000  -0.00002   0.00002   0.00000   2.26360
   A102       2.12044  -0.00000   0.00002  -0.00001   0.00000   2.12045
   A103       1.86906   0.00000  -0.00000   0.00000  -0.00000   1.86906
   A104       2.08810   0.00000  -0.00001   0.00001  -0.00000   2.08810
   A105       2.32592  -0.00000   0.00001  -0.00001   0.00000   2.32592
   A106       1.86835  -0.00000  -0.00000  -0.00000  -0.00000   1.86835
   A107       2.32688   0.00000   0.00001  -0.00001   0.00001   2.32689
   A108       2.08782  -0.00000  -0.00001   0.00001  -0.00000   2.08781
   A109       1.89915  -0.00000   0.00000  -0.00000  -0.00000   1.89915
   A110       2.26194   0.00000  -0.00002   0.00001  -0.00000   2.26193
   A111       2.12107  -0.00000   0.00002  -0.00001   0.00000   2.12108
   A112       2.07958   0.00000   0.00000   0.00000   0.00000   2.07958
   A113       2.09987   0.00000   0.00001   0.00000   0.00001   2.09988
   A114       2.10371  -0.00000  -0.00001  -0.00000  -0.00001   2.10370
   A115       2.10333   0.00000   0.00001  -0.00000   0.00001   2.10334
   A116       2.09216  -0.00000  -0.00001  -0.00000  -0.00001   2.09215
   A117       2.08765   0.00000   0.00000   0.00001   0.00001   2.08765
   A118       2.11939  -0.00000  -0.00001   0.00000  -0.00000   2.11939
   A119       2.08644   0.00000  -0.00000   0.00000   0.00000   2.08644
   A120       2.07735  -0.00000   0.00001  -0.00001   0.00000   2.07735
   A121       2.05602   0.00000  -0.00000   0.00000  -0.00000   2.05602
   A122       2.12240   0.00000  -0.00002   0.00001  -0.00001   2.12239
   A123       2.10467  -0.00000   0.00002  -0.00001   0.00001   2.10468
   A124       2.05442   0.00000  -0.00001   0.00001  -0.00001   2.05442
   A125       2.12471  -0.00000  -0.00002   0.00001  -0.00001   2.12470
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   D169       0.00287   0.00000  -0.00001   0.00001   0.00000   0.00288
   D170      -3.12532  -0.00000   0.00005  -0.00003   0.00003  -3.12529
   D171       3.10453  -0.00000  -0.00007   0.00000  -0.00007   3.10446
   D172      -0.02366  -0.00000  -0.00002  -0.00003  -0.00005  -0.02371
   D173       3.11613  -0.00000  -0.00005   0.00001  -0.00004   3.11609
   D174      -0.01572  -0.00000  -0.00004   0.00001  -0.00003  -0.01576
   D175       0.02357   0.00000   0.00003   0.00002   0.00005   0.02362
   D176      -3.10828   0.00000   0.00004   0.00002   0.00006  -3.10822
   D177      -0.00369  -0.00000   0.00000  -0.00000   0.00000  -0.00369
   D178       3.12241   0.00000  -0.00007   0.00004  -0.00003   3.12238
   D179       3.12186   0.00000  -0.00006   0.00004  -0.00002   3.12184
   D180      -0.03522   0.00000  -0.00014   0.00008  -0.00006  -0.03527
   D181       0.00674   0.00000  -0.00001   0.00003   0.00001   0.00676
   D182      -3.14120   0.00000  -0.00001   0.00001  -0.00000  -3.14120
   D183      -3.11721  -0.00000   0.00006  -0.00002   0.00004  -3.11717
   D184       0.01804  -0.00000   0.00006  -0.00004   0.00003   0.01806
   D185       0.00317  -0.00000  -0.00000  -0.00000  -0.00001   0.00317
   D186       3.10560  -0.00000  -0.00007  -0.00000  -0.00008   3.10552
   D187      -3.12547  -0.00000   0.00006  -0.00004   0.00002  -3.12545
   D188      -0.02304  -0.00000  -0.00001  -0.00004  -0.00005  -0.02309
   D189      -3.11772  -0.00000   0.00007  -0.00002   0.00005  -3.11767
   D190       0.01794  -0.00000   0.00007  -0.00003   0.00003   0.01797
   D191       0.00684   0.00000  -0.00001   0.00003   0.00001   0.00685
   D192      -3.14068   0.00000  -0.00001   0.00001  -0.00000  -3.14069
   D193       3.11577   0.00000  -0.00006   0.00002  -0.00004   3.11573
   D194      -0.01539   0.00000  -0.00004   0.00002  -0.00002  -0.01541
   D195       0.02231   0.00000   0.00003   0.00003   0.00005   0.02236
   D196      -3.10885   0.00000   0.00005   0.00002   0.00007  -3.10877
   D197       0.00755   0.00000  -0.00000   0.00000  -0.00000   0.00755
   D198      -3.12058  -0.00000   0.00003  -0.00005  -0.00002  -3.12061
   D199       3.10592   0.00000  -0.00000   0.00002   0.00001   3.10593
   D200      -0.02222  -0.00000   0.00003  -0.00003  -0.00001  -0.02223
   D201       3.10890   0.00000  -0.00002   0.00004   0.00002   3.10892
   D202      -0.02270   0.00000  -0.00002   0.00003   0.00001  -0.02269
   D203       0.02051   0.00000  -0.00002   0.00002  -0.00000   0.02051
   D204      -3.11109   0.00000  -0.00002   0.00002  -0.00001  -3.11109
   D205      -0.00437  -0.00000   0.00000  -0.00000  -0.00000  -0.00437
   D206       3.11860   0.00000  -0.00001   0.00004   0.00003   3.11863
   D207       3.12117   0.00000  -0.00003   0.00006   0.00002   3.12119
   D208      -0.03906   0.00000  -0.00004   0.00010   0.00005  -0.03900
   D209       0.00705   0.00000  -0.00002   0.00003   0.00001   0.00706
   D210      -3.14139   0.00000  -0.00001   0.00001   0.00000  -3.14138
   D211      -3.11688  -0.00000   0.00002  -0.00004  -0.00001  -3.11689
   D212       0.01787  -0.00000   0.00003  -0.00006  -0.00002   0.01785
   D213      -0.00042   0.00000   0.00000   0.00000   0.00001  -0.00041
   D214       3.09696  -0.00000   0.00001  -0.00000   0.00001   3.09696
   D215      -3.12642  -0.00000   0.00001  -0.00003  -0.00002  -3.12644
   D216      -0.02904  -0.00000   0.00002  -0.00004  -0.00002  -0.02906
   D217      -3.11371  -0.00000  -0.00001  -0.00002  -0.00002  -3.11374
   D218       0.02097  -0.00000  -0.00000  -0.00004  -0.00004   0.02093
   D219       0.00739   0.00000  -0.00001   0.00003   0.00001   0.00740
   D220      -3.14112   0.00000  -0.00001   0.00001  -0.00000  -3.14112
   D221       3.11773   0.00000   0.00000   0.00001   0.00002   3.11774
   D222      -0.01217   0.00000   0.00001   0.00002   0.00003  -0.01215
   D223       0.03046   0.00000  -0.00001   0.00002   0.00002   0.03048
   D224      -3.09944   0.00000  -0.00000   0.00003   0.00003  -3.09941
   D225       0.01165  -0.00000  -0.00002  -0.00000  -0.00002   0.01162
   D226      -3.13942   0.00000  -0.00001   0.00001   0.00000  -3.13942
   D227      -3.12207   0.00000  -0.00001   0.00001  -0.00001  -3.12207
   D228       0.01005   0.00000  -0.00000   0.00002   0.00002   0.01007
   D229      -0.01183  -0.00000   0.00001  -0.00001  -0.00000  -0.01183
   D230       3.12480  -0.00000   0.00003  -0.00003   0.00000   3.12480
   D231       3.13921  -0.00000  -0.00000  -0.00002  -0.00002   3.13919
   D232      -0.00734  -0.00000   0.00002  -0.00004  -0.00002  -0.00736
   D233      -0.00791   0.00000   0.00002  -0.00001   0.00001  -0.00790
   D234       3.11863   0.00000   0.00002   0.00000   0.00002   3.11865
   D235       3.13862   0.00000  -0.00001   0.00002   0.00001   3.13863
   D236      -0.01803   0.00000  -0.00001   0.00003   0.00002  -0.01801
   D237      -0.00890  -0.00000   0.00001  -0.00001   0.00001  -0.00890
   D238       3.13509   0.00000  -0.00001   0.00001   0.00000   3.13509
   D239       3.12634   0.00000  -0.00001   0.00002   0.00001   3.12635
   D240      -0.01285   0.00000  -0.00003   0.00004   0.00001  -0.01284
   D241      -0.00947  -0.00000   0.00000  -0.00000   0.00000  -0.00947
   D242       3.13882  -0.00000  -0.00000  -0.00003  -0.00003   3.13879
   D243       3.12971  -0.00000   0.00003  -0.00002   0.00000   3.12971
   D244      -0.00519  -0.00000   0.00002  -0.00005  -0.00003  -0.00521
   D245       0.01019  -0.00000  -0.00001  -0.00001  -0.00002   0.01017
   D246      -3.12530   0.00000  -0.00001   0.00002   0.00001  -3.12529
   D247      -3.13812   0.00000  -0.00000   0.00002   0.00001  -3.13810
   D248       0.00958   0.00000  -0.00001   0.00004   0.00004   0.00961
   D249       0.00904   0.00000   0.00003  -0.00001   0.00002   0.00906
   D250      -3.13900   0.00000   0.00001   0.00000   0.00001  -3.13899
   D251      -3.12661   0.00000   0.00002   0.00001   0.00004  -3.12657
   D252       0.00853   0.00000   0.00001   0.00002   0.00003   0.00856
   D253      -0.00959  -0.00000  -0.00001  -0.00001  -0.00002  -0.00961
   D254       3.12905  -0.00000  -0.00001  -0.00002  -0.00003   3.12903
   D255       3.13844  -0.00000   0.00000  -0.00001  -0.00001   3.13842
   D256      -0.00610  -0.00000   0.00001  -0.00002  -0.00002  -0.00612
   D257      -0.00608  -0.00000  -0.00002  -0.00000  -0.00002  -0.00610
   D258       3.12517  -0.00000  -0.00004   0.00000  -0.00004   3.12513
   D259       3.13845  -0.00000  -0.00002   0.00001  -0.00001   3.13844
   D260      -0.01349  -0.00000  -0.00004   0.00001  -0.00003  -0.01352
   D261      -0.00732  -0.00000  -0.00002  -0.00000  -0.00002  -0.00734
   D262       3.13889   0.00000  -0.00002   0.00001  -0.00001   3.13888
   D263       3.12461  -0.00000  -0.00003   0.00000  -0.00003   3.12459
   D264      -0.01236   0.00000  -0.00003   0.00002  -0.00002  -0.01237
   D265      -0.00901  -0.00000  -0.00001  -0.00001  -0.00001  -0.00902
   D266       3.13999  -0.00000   0.00000  -0.00002  -0.00001   3.13998
   D267       3.12794  -0.00000  -0.00000  -0.00002  -0.00002   3.12792
   D268      -0.00624  -0.00000   0.00001  -0.00003  -0.00002  -0.00626
   D269       0.00915   0.00000   0.00002  -0.00001   0.00002   0.00917
   D270      -3.12608   0.00000   0.00002   0.00001   0.00003  -3.12605
   D271      -3.13987   0.00000   0.00001   0.00000   0.00001  -3.13986
   D272       0.00808   0.00000   0.00001   0.00002   0.00003   0.00811
   D273       0.01146  -0.00000   0.00001  -0.00000   0.00000   0.01146
   D274      -3.13949   0.00000   0.00000   0.00001   0.00001  -3.13948
   D275      -3.12321   0.00000   0.00000   0.00001   0.00002  -3.12319
   D276       0.00903   0.00000  -0.00000   0.00003   0.00002   0.00905
   D277      -0.00967  -0.00000   0.00000  -0.00001  -0.00000  -0.00968
   D278       3.12567  -0.00000   0.00002  -0.00002  -0.00001   3.12566
   D279       3.14125  -0.00000   0.00001  -0.00002  -0.00001   3.14124
   D280      -0.00659  -0.00000   0.00002  -0.00004  -0.00002  -0.00661
   D281      -0.01120  -0.00000  -0.00000  -0.00000  -0.00000  -0.01121
   D282       3.11884  -0.00000  -0.00001  -0.00000  -0.00001   3.11883
   D283       3.13661   0.00000  -0.00002   0.00001  -0.00000   3.13661
   D284      -0.01653  -0.00000  -0.00002   0.00001  -0.00001  -0.01654
   D285      -0.00430   0.00000   0.00000   0.00000   0.00000  -0.00430
   D286       3.13974   0.00000  -0.00001   0.00001   0.00001   3.13975
   D287       3.12740   0.00000   0.00000   0.00001   0.00001   3.12741
   D288      -0.01174   0.00000  -0.00000   0.00002   0.00001  -0.01173
   D289      -0.01039  -0.00000   0.00001  -0.00001   0.00000  -0.01039
   D290       3.13793  -0.00000   0.00001  -0.00001  -0.00001   3.13792
   D291       3.12874  -0.00000   0.00002  -0.00002  -0.00000   3.12874
   D292      -0.00613  -0.00000   0.00001  -0.00002  -0.00001  -0.00614
   D293       0.00881  -0.00000   0.00000  -0.00001  -0.00001   0.00881
   D294      -3.12592   0.00000  -0.00001   0.00001  -0.00000  -3.12592
   D295      -3.13952   0.00000   0.00000  -0.00000   0.00000  -3.13952
   D296       0.00894   0.00000  -0.00001   0.00002   0.00001   0.00894
         Item               Value     Threshold  Converged?
 Maximum Force            0.000016     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.004423     0.001800     NO 
 RMS     Displacement     0.000503     0.001200     YES
 Predicted change in Energy=-2.386845D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.035022    2.958487    0.093313
      2          6           0       -2.307970    1.594642    0.014369
      3          6           0       -1.276990    0.637540    0.001040
      4          6           0        0.060432    1.095869    0.039696
      5          6           0        0.326603    2.476723    0.110007
      6          6           0       -0.699199    3.400540    0.146108
      7          6           0       -1.551355   -0.806947   -0.076004
      8          6           0       -0.481422   -1.749765   -0.118000
      9          6           0        0.887079   -1.270330   -0.069781
     10          6           0        1.166435    0.144579    0.007001
     11          6           0       -2.867287   -1.291621   -0.092618
     12          6           0       -3.149639   -2.655601   -0.177410
     13          6           0       -2.087869   -3.575529   -0.239454
     14          6           0       -0.782112   -3.128345   -0.202626
     15          7           0        1.943830   -2.102791   -0.089982
     16          6           0        3.229712   -1.649362   -0.049820
     17          6           0        3.445431   -0.241052    0.023357
     18          7           0        2.403094    0.618921    0.050234
     19          6           0        4.331151   -2.539684   -0.074438
     20          6           0        5.603109   -2.022216   -0.029806
     21          6           0        5.839065   -0.614557    0.023767
     22          6           0        4.769017    0.259933    0.047703
     23          7           0       -3.094053    3.893319    0.121783
     24          7           0       -4.485542   -3.101694   -0.199290
     25          7           0        7.164748   -0.140011    0.074776
     26          6           0       -5.016394   -4.145010    0.582468
     27          6           0       -6.394448   -4.281280    0.286317
     28          6           0       -6.713987   -3.287857   -0.718610
     29          6           0       -5.520469   -2.576691   -0.994509
     30          6           0       -3.208126    5.028180   -0.697831
     31          6           0       -4.402279    5.714634   -0.365699
     32          6           0       -5.036999    4.968400    0.701345
     33          6           0       -4.208592    3.852273    0.976417
     34          6           0        7.669726    0.810470    0.981035
     35          6           0        9.047573    1.004911    0.716464
     36          6           0        9.391943    0.147588   -0.399641
     37          6           0        8.213012   -0.543185   -0.771771
     38          6           0       -7.887762   -2.964151   -1.407211
     39          6           0       -7.856731   -1.951140   -2.361081
     40          6           0       -6.660547   -1.271227   -2.640143
     41          6           0       -5.477974   -1.575034   -1.967948
     42          6           0       -4.398080   -4.932234    1.557291
     43          6           0       -5.177379   -5.884755    2.211212
     44          6           0       -6.540159   -6.046513    1.914142
     45          6           0       -7.155255   -5.244271    0.957834
     46          6           0       -6.208284    5.159250    1.442689
     47          6           0       -6.532128    4.249349    2.444498
     48          6           0       -5.690350    3.158781    2.717410
     49          6           0       -4.518726    2.945894    1.993634
     50          6           0       -2.375754    5.467781   -1.730564
     51          6           0       -2.743388    6.627138   -2.410813
     52          6           0       -3.913779    7.330022   -2.081233
     53          6           0       -4.748858    6.876142   -1.064695
     54          6           0       10.575870   -0.071857   -1.111689
     55          6           0       10.567666   -0.962113   -2.181495
     56          6           0        9.385000   -1.621973   -2.551950
     57          6           0        8.192030   -1.418920   -1.860412
     58          6           0        7.029499    1.466101    2.035320
     59          6           0        7.787042    2.343025    2.809696
     60          6           0        9.149217    2.561346    2.548558
     61          6           0        9.785539    1.891775    1.507630
     62          1           0       -3.344314    1.293939   -0.059278
     63          1           0        1.360361    2.797426    0.151811
     64          1           0       -0.486710    4.460094    0.231583
     65          1           0       -3.702385   -0.610012   -0.010465
     66          1           0       -2.290977   -4.635341   -0.338309
     67          1           0        0.013811   -3.867604   -0.254524
     68          1           0        1.863560   -3.219597   -0.124813
     69          1           0        4.139519   -3.608281   -0.107577
     70          1           0        6.454438   -2.693140   -0.012595
     71          1           0        4.910286    1.333469    0.067610
     72          1           0       -8.808779   -3.502597   -1.203952
     73          1           0       -8.761199   -1.688988   -2.900894
     74          1           0       -6.650741   -0.494234   -3.398498
     75          1           0       -4.557506   -1.056108   -2.209153
     76          1           0       -3.350940   -4.810606    1.808357
     77          1           0       -4.716128   -6.511777    2.968056
     78          1           0       -7.117930   -6.799844    2.440340
     79          1           0       -8.212755   -5.358736    0.738432
     80          1           0       -6.852344    6.010254    1.241204
     81          1           0       -7.439164    4.384806    3.025104
     82          1           0       -5.953133    2.465500    3.510669
     83          1           0       -3.869834    2.108696    2.224395
     84          1           0       -1.477986    4.925611   -2.004945
     85          1           0       -2.110624    6.989346   -3.215485
     86          1           0       -4.170653    8.230701   -2.629893
     87          1           0       -5.661239    7.412052   -0.819823
     88          1           0       11.486854    0.451248   -0.836118
     89          1           0       11.480030   -1.142832   -2.741010
     90          1           0        9.393728   -2.301780   -3.398423
     91          1           0        7.282560   -1.919886   -2.171898
     92          1           0        5.982049    1.297426    2.256609
     93          1           0        7.309692    2.865017    3.633474
     94          1           0        9.709964    3.253602    3.168653
     95          1           0       10.842567    2.049482    1.314525
     96         17           0        2.048256   -5.021791   -0.159072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463330           0.0189102           0.0145413
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.3137667661 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000025   -0.000002   -0.000008 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -2888.58794015     A.U. after    6 cycles
            NFock=  6  Conv=0.64D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009764    0.000002103    0.000000429
      2        6          -0.000000546   -0.000000736   -0.000000569
      3        6           0.000001118    0.000011169    0.000001527
      4        6          -0.000008321   -0.000000642    0.000001359
      5        6           0.000000967    0.000000495   -0.000000376
      6        6           0.000003110    0.000001324   -0.000001226
      7        6           0.000006803   -0.000009762   -0.000001639
      8        6          -0.000010012    0.000005257   -0.000002748
      9        6           0.000003770    0.000007718    0.000005939
     10        6           0.000004257   -0.000003934    0.000001227
     11        6          -0.000000946    0.000000272    0.000000582
     12        6          -0.000014881   -0.000006101   -0.000003094
     13        6           0.000005205    0.000000355    0.000003029
     14        6          -0.000002795   -0.000004691   -0.000001487
     15        7          -0.000000701   -0.000017831   -0.000011140
     16        6           0.000000164    0.000004420    0.000000774
     17        6          -0.000001579    0.000005433    0.000001861
     18        7           0.000003068   -0.000000040   -0.000000101
     19        6           0.000002490   -0.000002564   -0.000001594
     20        6           0.000000777    0.000005483   -0.000000829
     21        6           0.000012050   -0.000003533    0.000002528
     22        6          -0.000006980   -0.000001853    0.000000244
     23        7           0.000008518   -0.000004549    0.000001452
     24        7           0.000014573    0.000008743    0.000005723
     25        7          -0.000009330   -0.000000012   -0.000006737
     26        6           0.000001700   -0.000001540   -0.000001082
     27        6          -0.000003226    0.000002260    0.000002142
     28        6           0.000002186   -0.000004453   -0.000002304
     29        6          -0.000005145    0.000002037   -0.000004166
     30        6           0.000001101    0.000001020   -0.000000942
     31        6          -0.000003927   -0.000003986   -0.000001721
     32        6           0.000001925    0.000005106    0.000002030
     33        6          -0.000000985   -0.000002190    0.000000318
     34        6          -0.000000338   -0.000001348    0.000003913
     35        6           0.000004916   -0.000005251    0.000001982
     36        6          -0.000000560    0.000006470   -0.000001010
     37        6          -0.000001425   -0.000002162    0.000001231
     38        6          -0.000001452    0.000002110    0.000001081
     39        6          -0.000000575   -0.000000807   -0.000000673
     40        6          -0.000000270    0.000000688    0.000000571
     41        6           0.000000580    0.000000601    0.000000348
     42        6          -0.000000241   -0.000000600    0.000002349
     43        6           0.000001026    0.000000173   -0.000001310
     44        6          -0.000001420   -0.000000271    0.000000820
     45        6           0.000001184   -0.000001965   -0.000001369
     46        6          -0.000001495   -0.000002310   -0.000000846
     47        6          -0.000001444    0.000001310    0.000000408
     48        6           0.000000435   -0.000000517   -0.000000642
     49        6           0.000000336   -0.000000326    0.000000041
     50        6           0.000000935    0.000000570   -0.000000985
     51        6           0.000000528   -0.000000034    0.000000842
     52        6          -0.000001889    0.000000559   -0.000000333
     53        6           0.000001317    0.000002410    0.000001035
     54        6           0.000001071   -0.000002385    0.000000908
     55        6           0.000000924    0.000001315   -0.000000513
     56        6          -0.000000316   -0.000000568    0.000000740
     57        6           0.000000065   -0.000000440   -0.000001367
     58        6          -0.000001096    0.000001064   -0.000000224
     59        6          -0.000000421    0.000000172   -0.000000540
     60        6           0.000001560    0.000000474    0.000000267
     61        6          -0.000001802    0.000002958   -0.000001076
     62        1           0.000000001   -0.000001065   -0.000001405
     63        1          -0.000000373    0.000000248    0.000000323
     64        1           0.000000378   -0.000000561    0.000000118
     65        1           0.000000422    0.000000936    0.000002118
     66        1           0.000000712    0.000000270   -0.000001035
     67        1           0.000000512   -0.000000323    0.000000049
     68        1           0.000000947    0.000008017    0.000003889
     69        1          -0.000001164   -0.000000025    0.000000474
     70        1          -0.000000087   -0.000000708    0.000000085
     71        1           0.000001460    0.000000006   -0.000000266
     72        1           0.000000281   -0.000000411   -0.000000193
     73        1          -0.000000063    0.000000440    0.000000535
     74        1           0.000000432   -0.000000352   -0.000000360
     75        1          -0.000000431   -0.000000396   -0.000000247
     76        1          -0.000000105   -0.000000862   -0.000000587
     77        1          -0.000000191    0.000000561    0.000000500
     78        1           0.000000504   -0.000000285   -0.000000685
     79        1          -0.000000277    0.000000548    0.000000083
     80        1           0.000000464    0.000000578   -0.000000148
     81        1           0.000000213   -0.000000612   -0.000000200
     82        1           0.000000517    0.000000093    0.000000273
     83        1          -0.000000111   -0.000000251    0.000000144
     84        1          -0.000000854    0.000000619   -0.000000192
     85        1           0.000000010   -0.000000363   -0.000000276
     86        1           0.000000551    0.000000182    0.000000399
     87        1          -0.000000206   -0.000000587    0.000000181
     88        1          -0.000000328    0.000000463   -0.000000048
     89        1          -0.000000031   -0.000000507    0.000000405
     90        1          -0.000000452    0.000000347   -0.000000369
     91        1           0.000000083   -0.000000054   -0.000000013
     92        1           0.000000451    0.000000237    0.000000429
     93        1          -0.000000031   -0.000000480    0.000000202
     94        1          -0.000000458    0.000000113   -0.000000269
     95        1           0.000000318   -0.000000724   -0.000000051
     96       17           0.000002134   -0.000001762    0.000001079
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017831 RMS     0.000003179

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000010980 RMS     0.000001357
 Search for a local minimum.
 Step number  26 out of a maximum of  576
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16   17   18
                                                     19   20   21   22   23
                                                     24   25   26
 DE= -3.98D-08 DEPred=-2.39D-08 R= 1.67D+00
 Trust test= 1.67D+00 RLast= 2.95D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0  1  0
     Eigenvalues ---    0.00195   0.00638   0.00884   0.01596   0.01834
     Eigenvalues ---    0.02287   0.02640   0.02711   0.02726   0.02736
     Eigenvalues ---    0.02745   0.02747   0.02753   0.02758   0.02771
     Eigenvalues ---    0.02775   0.02785   0.02788   0.02792   0.02793
     Eigenvalues ---    0.02794   0.02795   0.02797   0.02809   0.02816
     Eigenvalues ---    0.02817   0.02819   0.02819   0.02820   0.02821
     Eigenvalues ---    0.02828   0.02830   0.02833   0.02837   0.02842
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02848   0.02855   0.02857   0.02859   0.02866
     Eigenvalues ---    0.02868   0.02868   0.02869   0.02871   0.02872
     Eigenvalues ---    0.02872   0.02875   0.02876   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02881   0.02883   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02887   0.02890   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02901   0.02902   0.02904
     Eigenvalues ---    0.02909   0.02910   0.02920   0.02935   0.02943
     Eigenvalues ---    0.02947   0.02967   0.03022   0.03025   0.03033
     Eigenvalues ---    0.03124   0.03127   0.03132   0.03141   0.03149
     Eigenvalues ---    0.03186   0.03293   0.03537   0.05694   0.11749
     Eigenvalues ---    0.15189   0.15646   0.15835   0.15946   0.15977
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16007   0.16015   0.16029
     Eigenvalues ---    0.16052   0.16097   0.16171   0.16381   0.21591
     Eigenvalues ---    0.21945   0.21996   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22001   0.22287   0.22465   0.22533   0.22570
     Eigenvalues ---    0.22600   0.22602   0.22606   0.22630   0.22658
     Eigenvalues ---    0.22748   0.23471   0.23517   0.23773   0.24072
     Eigenvalues ---    0.24452   0.24476   0.24484   0.24511   0.24517
     Eigenvalues ---    0.24647   0.24670   0.24746   0.24954   0.24963
     Eigenvalues ---    0.24967   0.24969   0.24975   0.24977   0.24989
     Eigenvalues ---    0.24999   0.25011   0.25022   0.25061   0.25163
     Eigenvalues ---    0.25215   0.25557   0.26832   0.30393   0.33242
     Eigenvalues ---    0.33248   0.33253   0.33255   0.33256   0.33281
     Eigenvalues ---    0.33297   0.33324   0.33389   0.33393   0.33395
     Eigenvalues ---    0.33396   0.33399   0.33455   0.33560   0.33566
     Eigenvalues ---    0.33571   0.33575   0.33576   0.33665   0.33805
     Eigenvalues ---    0.33850   0.33867   0.33885   0.33899   0.33906
     Eigenvalues ---    0.33909   0.33935   0.33963   0.34238   0.34362
     Eigenvalues ---    0.34782   0.35957   0.36445   0.44463   0.44472
     Eigenvalues ---    0.44737   0.45583   0.45765   0.47966   0.48842
     Eigenvalues ---    0.48940   0.49212   0.49618   0.49789   0.50133
     Eigenvalues ---    0.50237   0.50356   0.50396   0.50592   0.50613
     Eigenvalues ---    0.50663   0.50887   0.52403   0.52477   0.52845
     Eigenvalues ---    0.53924   0.54072   0.54194   0.54199   0.54211
     Eigenvalues ---    0.54447   0.54653   0.54859   0.55375   0.55484
     Eigenvalues ---    0.55528   0.55586   0.55716   0.55900   0.55930
     Eigenvalues ---    0.55947   0.56099   0.56129   0.56147   0.56222
     Eigenvalues ---    0.56317   0.56493   0.56652   0.56664   0.56665
     Eigenvalues ---    0.56667   0.56683   0.56694   0.56812   0.56892
     Eigenvalues ---    0.56905   0.56940   0.57073   0.57160   0.57161
     Eigenvalues ---    0.57167   0.57172   0.57178   0.59484   0.61645
     Eigenvalues ---    0.62473   0.64700   0.65975   0.67196   0.67641
     Eigenvalues ---    0.67766   0.68459   0.69138   0.69960   0.73547
     Eigenvalues ---    0.75934   0.85183
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    26   25   24   23   22   21   20   19   18   17
 RFO step:  Lambda=-3.25926391D-09.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.33296   -0.31385   -0.01911    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00025799 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000005 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63263  -0.00000   0.00001  -0.00000   0.00000   2.63263
    R2        2.66084   0.00000  -0.00000   0.00001   0.00001   2.66085
    R3        2.66998  -0.00001  -0.00000  -0.00001  -0.00001   2.66997
    R4        2.65851  -0.00000  -0.00000  -0.00000  -0.00000   2.65850
    R5        2.04392   0.00000  -0.00000   0.00000   0.00000   2.04392
    R6        2.67265  -0.00000   0.00000  -0.00001  -0.00001   2.67264
    R7        2.78230   0.00001   0.00000   0.00001   0.00001   2.78231
    R8        2.66079   0.00000  -0.00000   0.00000  -0.00000   2.66079
    R9        2.75749   0.00001  -0.00001   0.00002   0.00001   2.75750
   R10        2.60961   0.00000   0.00000   0.00000   0.00000   2.60961
   R11        2.04689  -0.00000   0.00000  -0.00000  -0.00000   2.04689
   R12        2.04851  -0.00000  -0.00000  -0.00000  -0.00000   2.04851
   R13        2.69604  -0.00000  -0.00001  -0.00001  -0.00002   2.69602
   R14        2.65024   0.00000   0.00001  -0.00000   0.00001   2.65025
   R15        2.74172   0.00001   0.00001   0.00001   0.00002   2.74174
   R16        2.67118   0.00000  -0.00000   0.00001   0.00000   2.67118
   R17        2.72927   0.00000  -0.00002   0.00000  -0.00001   2.72925
   R18        2.54245   0.00001  -0.00001   0.00001   0.00000   2.54245
   R19        2.50429   0.00000   0.00001  -0.00000   0.00001   2.50430
   R20        2.63707   0.00000  -0.00001   0.00000  -0.00000   2.63706
   R21        2.04294   0.00000  -0.00000   0.00000  -0.00000   2.04294
   R22        2.65738   0.00000  -0.00001   0.00001   0.00000   2.65739
   R23        2.66184  -0.00001   0.00003  -0.00003   0.00001   2.66185
   R24        2.60914  -0.00000   0.00000  -0.00000  -0.00000   2.60914
   R25        2.04774  -0.00000   0.00000  -0.00000  -0.00000   2.04774
   R26        2.05511   0.00000  -0.00000   0.00000   0.00000   2.05511
   R27        2.57773   0.00000   0.00000   0.00001   0.00001   2.57774
   R28        2.11693  -0.00000  -0.00001   0.00001  -0.00001   2.11692
   R29        5.52118  -0.00000   0.00000   0.00004   0.00004   5.52123
   R30        2.69591   0.00000   0.00001   0.00000   0.00001   2.69592
   R31        2.67678   0.00000  -0.00001   0.00001  -0.00001   2.67677
   R32        2.55410  -0.00000  -0.00000  -0.00000  -0.00001   2.55409
   R33        2.67479  -0.00000   0.00000  -0.00001  -0.00000   2.67478
   R34        2.59632   0.00000   0.00001   0.00000   0.00001   2.59633
   R35        2.05253  -0.00000   0.00000  -0.00000  -0.00000   2.05253
   R36        2.69910  -0.00000  -0.00001  -0.00001  -0.00001   2.69909
   R37        2.04859   0.00000  -0.00000   0.00000   0.00000   2.04859
   R38        2.61186   0.00000  -0.00000   0.00001   0.00001   2.61187
   R39        2.66259  -0.00001   0.00002  -0.00001   0.00000   2.66259
   R40        2.04652  -0.00000  -0.00000  -0.00000  -0.00000   2.04652
   R41        2.65417   0.00000   0.00001   0.00000   0.00001   2.65418
   R42        2.65524   0.00000   0.00001  -0.00000   0.00001   2.65525
   R43        2.66006   0.00000  -0.00001   0.00001  -0.00001   2.66005
   R44        2.65846   0.00001  -0.00001   0.00002   0.00000   2.65846
   R45        2.65889   0.00000  -0.00001   0.00001   0.00000   2.65889
   R46        2.65777  -0.00000  -0.00001   0.00000  -0.00001   2.65776
   R47        2.67602   0.00000   0.00000   0.00000   0.00000   2.67603
   R48        2.64042   0.00000  -0.00000   0.00000   0.00000   2.64043
   R49        2.73774  -0.00000  -0.00000  -0.00000  -0.00000   2.73774
   R50        2.64367   0.00000   0.00000   0.00000   0.00000   2.64367
   R51        2.67672   0.00000   0.00000  -0.00000   0.00000   2.67673
   R52        2.64339   0.00000  -0.00000   0.00000   0.00000   2.64339
   R53        2.64069  -0.00000  -0.00000   0.00000  -0.00000   2.64069
   R54        2.67750   0.00000  -0.00000   0.00000   0.00000   2.67750
   R55        2.64064   0.00000  -0.00000   0.00000   0.00000   2.64064
   R56        2.73738  -0.00000  -0.00000  -0.00000  -0.00000   2.73737
   R57        2.64414   0.00000  -0.00000   0.00000  -0.00000   2.64414
   R58        2.67759   0.00000  -0.00000   0.00000  -0.00000   2.67759
   R59        2.64421   0.00000  -0.00000   0.00000  -0.00000   2.64421
   R60        2.64051  -0.00000   0.00000  -0.00000  -0.00000   2.64051
   R61        2.67666   0.00000   0.00000   0.00000   0.00000   2.67667
   R62        2.63971   0.00000  -0.00000   0.00000   0.00000   2.63971
   R63        2.73801  -0.00000  -0.00000  -0.00000  -0.00000   2.73800
   R64        2.64364   0.00000  -0.00000   0.00000   0.00000   2.64364
   R65        2.67617   0.00000   0.00000   0.00000   0.00000   2.67617
   R66        2.64349   0.00000  -0.00000   0.00000  -0.00000   2.64349
   R67        2.64054   0.00000  -0.00000   0.00000   0.00000   2.64055
   R68        2.63006  -0.00000   0.00000  -0.00000   0.00000   2.63006
   R69        2.05234   0.00000  -0.00000   0.00000   0.00000   2.05234
   R70        2.65304   0.00000  -0.00000   0.00000  -0.00000   2.65304
   R71        2.05119  -0.00000   0.00000  -0.00000  -0.00000   2.05119
   R72        2.63386   0.00000   0.00000   0.00000   0.00000   2.63386
   R73        2.05183  -0.00000   0.00000  -0.00000  -0.00000   2.05183
   R74        2.04817  -0.00000   0.00000  -0.00000  -0.00000   2.04817
   R75        2.63359  -0.00000   0.00000  -0.00000  -0.00000   2.63359
   R76        2.04783  -0.00000   0.00000  -0.00000  -0.00000   2.04783
   R77        2.65342   0.00000  -0.00000   0.00000  -0.00000   2.65342
   R78        2.05166  -0.00000  -0.00000   0.00000   0.00000   2.05166
   R79        2.62968  -0.00000   0.00000  -0.00000   0.00000   2.62968
   R80        2.05121  -0.00000   0.00000  -0.00000  -0.00000   2.05121
   R81        2.05237   0.00000  -0.00000   0.00000   0.00000   2.05237
   R82        2.62965  -0.00000   0.00000  -0.00000   0.00000   2.62965
   R83        2.05244   0.00000  -0.00000   0.00000   0.00000   2.05244
   R84        2.65398   0.00000  -0.00000   0.00000  -0.00000   2.65398
   R85        2.05117  -0.00000  -0.00000  -0.00000  -0.00000   2.05117
   R86        2.63336  -0.00000   0.00000  -0.00000   0.00000   2.63336
   R87        2.05186   0.00000  -0.00000   0.00000   0.00000   2.05186
   R88        2.04860   0.00000  -0.00000   0.00000  -0.00000   2.04860
   R89        2.63344   0.00000   0.00000  -0.00000   0.00000   2.63344
   R90        2.04861  -0.00000  -0.00000  -0.00000  -0.00000   2.04860
   R91        2.65403   0.00000  -0.00000   0.00000  -0.00000   2.65403
   R92        2.05197   0.00000  -0.00000   0.00000   0.00000   2.05197
   R93        2.62985  -0.00000   0.00000  -0.00000   0.00000   2.62986
   R94        2.05123  -0.00000  -0.00000  -0.00000  -0.00000   2.05123
   R95        2.05242   0.00000  -0.00000   0.00000  -0.00000   2.05242
   R96        2.63012  -0.00000   0.00000  -0.00000   0.00000   2.63012
   R97        2.05231   0.00000  -0.00000   0.00000   0.00000   2.05231
   R98        2.65326   0.00000  -0.00000   0.00000  -0.00000   2.65326
   R99        2.05114  -0.00000   0.00000  -0.00000  -0.00000   2.05114
   R100       2.63387  -0.00000   0.00000  -0.00000   0.00000   2.63387
   R101       2.05166   0.00000  -0.00000   0.00000   0.00000   2.05166
   R102       2.04852  -0.00000   0.00000   0.00000   0.00000   2.04852
   R103       2.63380   0.00000   0.00000   0.00000   0.00000   2.63380
   R104       2.04804  -0.00000   0.00000  -0.00000  -0.00000   2.04804
   R105       2.65329   0.00000  -0.00000   0.00000   0.00000   2.65329
   R106       2.05185   0.00000  -0.00000   0.00000   0.00000   2.05185
   R107       2.62989  -0.00000   0.00000  -0.00000   0.00000   2.62989
   R108       2.05118  -0.00000   0.00000  -0.00000  -0.00000   2.05118
   R109       2.05231   0.00000  -0.00000   0.00000   0.00000   2.05231
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   D285      -0.00430   0.00000   0.00000   0.00000   0.00000  -0.00429
   D286       3.13975   0.00000   0.00000   0.00000   0.00001   3.13975
   D287       3.12741   0.00000   0.00000   0.00000   0.00001   3.12741
   D288      -0.01173   0.00000   0.00000   0.00000   0.00001  -0.01173
   D289      -0.01039  -0.00000   0.00000  -0.00001  -0.00001  -0.01039
   D290       3.13792  -0.00000  -0.00000  -0.00001  -0.00001   3.13791
   D291       3.12874  -0.00000  -0.00000  -0.00001  -0.00001   3.12874
   D292      -0.00614  -0.00000  -0.00000  -0.00001  -0.00001  -0.00615
   D293       0.00881  -0.00000  -0.00000  -0.00001  -0.00001   0.00880
   D294      -3.12592   0.00000  -0.00000   0.00000   0.00000  -3.12591
   D295      -3.13952  -0.00000   0.00000  -0.00000   0.00000  -3.13951
   D296       0.00894   0.00000   0.00000   0.00001   0.00001   0.00896
         Item               Value     Threshold  Converged?
 Maximum Force            0.000011     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001460     0.001800     YES
 RMS     Displacement     0.000258     0.001200     YES
 Predicted change in Energy=-4.854439D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3931         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4081         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4129         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4068         -DE/DX =    0.0                 !
 ! R5    R(2,62)                 1.0816         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4143         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4723         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.408          -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4592         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.3809         -DE/DX =    0.0                 !
 ! R11   R(5,63)                 1.0832         -DE/DX =    0.0                 !
 ! R12   R(6,64)                 1.084          -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4267         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.4024         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.4509         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.4135         -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.4443         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.3454         -DE/DX =    0.0                 !
 ! R19   R(10,18)                1.3252         -DE/DX =    0.0                 !
 ! R20   R(11,12)                1.3955         -DE/DX =    0.0                 !
 ! R21   R(11,65)                1.0811         -DE/DX =    0.0                 !
 ! R22   R(12,13)                1.4062         -DE/DX =    0.0                 !
 ! R23   R(12,24)                1.4086         -DE/DX =    0.0                 !
 ! R24   R(13,14)                1.3807         -DE/DX =    0.0                 !
 ! R25   R(13,66)                1.0836         -DE/DX =    0.0                 !
 ! R26   R(14,67)                1.0875         -DE/DX =    0.0                 !
 ! R27   R(15,16)                1.3641         -DE/DX =    0.0                 !
 ! R28   R(15,68)                1.1202         -DE/DX =    0.0                 !
 ! R29   R(15,96)                2.9217         -DE/DX =    0.0                 !
 ! R30   R(16,17)                1.4266         -DE/DX =    0.0                 !
 ! R31   R(16,19)                1.4165         -DE/DX =    0.0                 !
 ! R32   R(17,18)                1.3516         -DE/DX =    0.0                 !
 ! R33   R(17,22)                1.4154         -DE/DX =    0.0                 !
 ! R34   R(19,20)                1.3739         -DE/DX =    0.0                 !
 ! R35   R(19,69)                1.0861         -DE/DX =    0.0                 !
 ! R36   R(20,21)                1.4283         -DE/DX =    0.0                 !
 ! R37   R(20,70)                1.0841         -DE/DX =    0.0                 !
 ! R38   R(21,22)                1.3821         -DE/DX =    0.0                 !
 ! R39   R(21,25)                1.409          -DE/DX =    0.0                 !
 ! R40   R(22,71)                1.083          -DE/DX =    0.0                 !
 ! R41   R(23,30)                1.4045         -DE/DX =    0.0                 !
 ! R42   R(23,33)                1.4051         -DE/DX =    0.0                 !
 ! R43   R(24,26)                1.4076         -DE/DX =    0.0                 !
 ! R44   R(24,29)                1.4068         -DE/DX =    0.0                 !
 ! R45   R(25,34)                1.407          -DE/DX =    0.0                 !
 ! R46   R(25,37)                1.4064         -DE/DX =    0.0                 !
 ! R47   R(26,27)                1.4161         -DE/DX =    0.0                 !
 ! R48   R(26,42)                1.3973         -DE/DX =    0.0                 !
 ! R49   R(27,28)                1.4487         -DE/DX =    0.0                 !
 ! R50   R(27,45)                1.399          -DE/DX =    0.0                 !
 ! R51   R(28,29)                1.4165         -DE/DX =    0.0                 !
 ! R52   R(28,38)                1.3988         -DE/DX =    0.0                 !
 ! R53   R(29,41)                1.3974         -DE/DX =    0.0                 !
 ! R54   R(30,31)                1.4169         -DE/DX =    0.0                 !
 ! R55   R(30,50)                1.3974         -DE/DX =    0.0                 !
 ! R56   R(31,32)                1.4486         -DE/DX =    0.0                 !
 ! R57   R(31,53)                1.3992         -DE/DX =    0.0                 !
 ! R58   R(32,33)                1.4169         -DE/DX =    0.0                 !
 ! R59   R(32,46)                1.3993         -DE/DX =    0.0                 !
 ! R60   R(33,49)                1.3973         -DE/DX =    0.0                 !
 ! R61   R(34,35)                1.4164         -DE/DX =    0.0                 !
 ! R62   R(34,58)                1.3969         -DE/DX =    0.0                 !
 ! R63   R(35,36)                1.4489         -DE/DX =    0.0                 !
 ! R64   R(35,61)                1.399          -DE/DX =    0.0                 !
 ! R65   R(36,37)                1.4162         -DE/DX =    0.0                 !
 ! R66   R(36,54)                1.3989         -DE/DX =    0.0                 !
 ! R67   R(37,57)                1.3973         -DE/DX =    0.0                 !
 ! R68   R(38,39)                1.3918         -DE/DX =    0.0                 !
 ! R69   R(38,72)                1.0861         -DE/DX =    0.0                 !
 ! R70   R(39,40)                1.4039         -DE/DX =    0.0                 !
 ! R71   R(39,73)                1.0854         -DE/DX =    0.0                 !
 ! R72   R(40,41)                1.3938         -DE/DX =    0.0                 !
 ! R73   R(40,74)                1.0858         -DE/DX =    0.0                 !
 ! R74   R(41,75)                1.0838         -DE/DX =    0.0                 !
 ! R75   R(42,43)                1.3936         -DE/DX =    0.0                 !
 ! R76   R(42,76)                1.0837         -DE/DX =    0.0                 !
 ! R77   R(43,44)                1.4041         -DE/DX =    0.0                 !
 ! R78   R(43,77)                1.0857         -DE/DX =    0.0                 !
 ! R79   R(44,45)                1.3916         -DE/DX =    0.0                 !
 ! R80   R(44,78)                1.0855         -DE/DX =    0.0                 !
 ! R81   R(45,79)                1.0861         -DE/DX =    0.0                 !
 ! R82   R(46,47)                1.3916         -DE/DX =    0.0                 !
 ! R83   R(46,80)                1.0861         -DE/DX =    0.0                 !
 ! R84   R(47,48)                1.4044         -DE/DX =    0.0                 !
 ! R85   R(47,81)                1.0854         -DE/DX =    0.0                 !
 ! R86   R(48,49)                1.3935         -DE/DX =    0.0                 !
 ! R87   R(48,82)                1.0858         -DE/DX =    0.0                 !
 ! R88   R(49,83)                1.0841         -DE/DX =    0.0                 !
 ! R89   R(50,51)                1.3936         -DE/DX =    0.0                 !
 ! R90   R(50,84)                1.0841         -DE/DX =    0.0                 !
 ! R91   R(51,52)                1.4045         -DE/DX =    0.0                 !
 ! R92   R(51,85)                1.0859         -DE/DX =    0.0                 !
 ! R93   R(52,53)                1.3917         -DE/DX =    0.0                 !
 ! R94   R(52,86)                1.0855         -DE/DX =    0.0                 !
 ! R95   R(53,87)                1.0861         -DE/DX =    0.0                 !
 ! R96   R(54,55)                1.3918         -DE/DX =    0.0                 !
 ! R97   R(54,88)                1.086          -DE/DX =    0.0                 !
 ! R98   R(55,56)                1.404          -DE/DX =    0.0                 !
 ! R99   R(55,89)                1.0854         -DE/DX =    0.0                 !
 ! R100  R(56,57)                1.3938         -DE/DX =    0.0                 !
 ! R101  R(56,90)                1.0857         -DE/DX =    0.0                 !
 ! R102  R(57,91)                1.084          -DE/DX =    0.0                 !
 ! R103  R(58,59)                1.3937         -DE/DX =    0.0                 !
 ! R104  R(58,92)                1.0838         -DE/DX =    0.0                 !
 ! R105  R(59,60)                1.4041         -DE/DX =    0.0                 !
 ! R106  R(59,93)                1.0858         -DE/DX =    0.0                 !
 ! R107  R(60,61)                1.3917         -DE/DX =    0.0                 !
 ! R108  R(60,94)                1.0854         -DE/DX =    0.0                 !
 ! R109  R(61,95)                1.086          -DE/DX =    0.0                 !
 ! R110  R(68,96)                1.812          -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              119.6925         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             120.1339         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.1735         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              121.5327         -DE/DX =    0.0                 !
 ! A5    A(1,2,62)             117.63           -DE/DX =    0.0                 !
 ! A6    A(3,2,62)             120.8233         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              118.182          -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.0999         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              119.7084         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.8638         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.3226         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             119.8136         -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              121.1276         -DE/DX =    0.0                 !
 ! A14   A(4,5,63)             118.2101         -DE/DX =    0.0                 !
 ! A15   A(6,5,63)             120.6547         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              119.5852         -DE/DX =    0.0                 !
 ! A17   A(1,6,64)             119.721          -DE/DX =    0.0                 !
 ! A18   A(5,6,64)             120.6856         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              120.6731         -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             120.9659         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             118.3561         -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              119.2106         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             119.1265         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             121.6627         -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             120.527          -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             122.4053         -DE/DX =    0.0                 !
 ! A27   A(10,9,15)            117.0674         -DE/DX =    0.0                 !
 ! A28   A(4,10,9)             119.5551         -DE/DX =    0.0                 !
 ! A29   A(4,10,18)            118.2437         -DE/DX =    0.0                 !
 ! A30   A(9,10,18)            122.2012         -DE/DX =    0.0                 !
 ! A31   A(7,11,12)            121.8949         -DE/DX =    0.0                 !
 ! A32   A(7,11,65)            120.3993         -DE/DX =    0.0                 !
 ! A33   A(12,11,65)           117.6831         -DE/DX =    0.0                 !
 ! A34   A(11,12,13)           119.2963         -DE/DX =    0.0                 !
 ! A35   A(11,12,24)           120.1579         -DE/DX =    0.0                 !
 ! A36   A(13,12,24)           120.5458         -DE/DX =    0.0                 !
 ! A37   A(12,13,14)           120.0669         -DE/DX =    0.0                 !
 ! A38   A(12,13,66)           120.1531         -DE/DX =    0.0                 !
 ! A39   A(14,13,66)           119.7662         -DE/DX =    0.0                 !
 ! A40   A(8,14,13)            121.2416         -DE/DX =    0.0                 !
 ! A41   A(8,14,67)            120.6727         -DE/DX =    0.0                 !
 ! A42   A(13,14,67)           118.0803         -DE/DX =    0.0                 !
 ! A43   A(9,15,16)            122.297          -DE/DX =    0.0                 !
 ! A44   A(9,15,68)            124.1275         -DE/DX =    0.0                 !
 ! A45   A(9,15,96)            130.2859         -DE/DX =    0.0                 !
 ! A46   A(16,15,68)           113.5691         -DE/DX =    0.0                 !
 ! A47   A(16,15,96)           107.4039         -DE/DX =    0.0                 !
 ! A48   A(15,16,17)           118.1769         -DE/DX =    0.0                 !
 ! A49   A(15,16,19)           121.5717         -DE/DX =    0.0                 !
 ! A50   A(17,16,19)           120.251          -DE/DX =    0.0                 !
 ! A51   A(16,17,18)           120.8318         -DE/DX =    0.0                 !
 ! A52   A(16,17,22)           119.4513         -DE/DX =    0.0                 !
 ! A53   A(18,17,22)           119.7101         -DE/DX =    0.0                 !
 ! A54   A(10,18,17)           119.4244         -DE/DX =    0.0                 !
 ! A55   A(16,19,20)           118.8542         -DE/DX =    0.0                 !
 ! A56   A(16,19,69)           118.798          -DE/DX =    0.0                 !
 ! A57   A(20,19,69)           122.3358         -DE/DX =    0.0                 !
 ! A58   A(19,20,21)           121.692          -DE/DX =    0.0                 !
 ! A59   A(19,20,70)           119.6336         -DE/DX =    0.0                 !
 ! A60   A(21,20,70)           118.6607         -DE/DX =    0.0                 !
 ! A61   A(20,21,22)           119.7565         -DE/DX =    0.0                 !
 ! A62   A(20,21,25)           119.2567         -DE/DX =    0.0                 !
 ! A63   A(22,21,25)           120.9776         -DE/DX =    0.0                 !
 ! A64   A(17,22,21)           119.9813         -DE/DX =    0.0                 !
 ! A65   A(17,22,71)           118.2394         -DE/DX =    0.0                 !
 ! A66   A(21,22,71)           121.7707         -DE/DX =    0.0                 !
 ! A67   A(1,23,30)            125.7132         -DE/DX =    0.0                 !
 ! A68   A(1,23,33)            125.9784         -DE/DX =    0.0                 !
 ! A69   A(30,23,33)           108.3077         -DE/DX =    0.0                 !
 ! A70   A(12,24,26)           125.7156         -DE/DX =    0.0                 !
 ! A71   A(12,24,29)           126.0361         -DE/DX =    0.0                 !
 ! A72   A(26,24,29)           108.2461         -DE/DX =    0.0                 !
 ! A73   A(21,25,34)           126.0516         -DE/DX =    0.0                 !
 ! A74   A(21,25,37)           125.657          -DE/DX =    0.0                 !
 ! A75   A(34,25,37)           108.2907         -DE/DX =    0.0                 !
 ! A76   A(24,26,27)           108.7942         -DE/DX =    0.0                 !
 ! A77   A(24,26,42)           129.6552         -DE/DX =    0.0                 !
 ! A78   A(27,26,42)           121.4883         -DE/DX =    0.0                 !
 ! A79   A(26,27,28)           107.0806         -DE/DX =    0.0                 !
 ! A80   A(26,27,45)           119.6752         -DE/DX =    0.0                 !
 ! A81   A(28,27,45)           133.2375         -DE/DX =    0.0                 !
 ! A82   A(27,28,29)           107.07           -DE/DX =    0.0                 !
 ! A83   A(27,28,38)           133.2533         -DE/DX =    0.0                 !
 ! A84   A(29,28,38)           119.668          -DE/DX =    0.0                 !
 ! A85   A(24,29,28)           108.8082         -DE/DX =    0.0                 !
 ! A86   A(24,29,41)           129.7103         -DE/DX =    0.0                 !
 ! A87   A(28,29,41)           121.4126         -DE/DX =    0.0                 !
 ! A88   A(23,30,31)           108.852          -DE/DX =    0.0                 !
 ! A89   A(23,30,50)           129.5753         -DE/DX =    0.0                 !
 ! A90   A(31,30,50)           121.5247         -DE/DX =    0.0                 !
 ! A91   A(30,31,32)           107.0008         -DE/DX =    0.0                 !
 ! A92   A(30,31,53)           119.5928         -DE/DX =    0.0                 !
 ! A93   A(32,31,53)           133.4005         -DE/DX =    0.0                 !
 ! A94   A(31,32,33)           107.0148         -DE/DX =    0.0                 !
 ! A95   A(31,32,46)           133.3769         -DE/DX =    0.0                 !
 ! A96   A(33,32,46)           119.6028         -DE/DX =    0.0                 !
 ! A97   A(23,33,32)           108.8241         -DE/DX =    0.0                 !
 ! A98   A(23,33,49)           129.6279         -DE/DX =    0.0                 !
 ! A99   A(32,33,49)           121.5018         -DE/DX =    0.0                 !
 ! A100  A(25,34,35)           108.7564         -DE/DX =    0.0                 !
 ! A101  A(25,34,58)           129.6947         -DE/DX =    0.0                 !
 ! A102  A(35,34,58)           121.4927         -DE/DX =    0.0                 !
 ! A103  A(34,35,36)           107.0894         -DE/DX =    0.0                 !
 ! A104  A(34,35,61)           119.639          -DE/DX =    0.0                 !
 ! A105  A(36,35,61)           133.2657         -DE/DX =    0.0                 !
 ! A106  A(35,36,37)           107.0483         -DE/DX =    0.0                 !
 ! A107  A(35,36,54)           133.3209         -DE/DX =    0.0                 !
 ! A108  A(37,36,54)           119.6229         -DE/DX =    0.0                 !
 ! A109  A(25,37,36)           108.8132         -DE/DX =    0.0                 !
 ! A110  A(25,37,57)           129.5993         -DE/DX =    0.0                 !
 ! A111  A(36,37,57)           121.5289         -DE/DX =    0.0                 !
 ! A112  A(28,38,39)           119.151          -DE/DX =    0.0                 !
 ! A113  A(28,38,72)           120.3143         -DE/DX =    0.0                 !
 ! A114  A(39,38,72)           120.5331         -DE/DX =    0.0                 !
 ! A115  A(38,39,40)           120.5125         -DE/DX =    0.0                 !
 ! A116  A(38,39,73)           119.8716         -DE/DX =    0.0                 !
 ! A117  A(40,39,73)           119.6138         -DE/DX =    0.0                 !
 ! A118  A(39,40,41)           121.4321         -DE/DX =    0.0                 !
 ! A119  A(39,40,74)           119.544          -DE/DX =    0.0                 !
 ! A120  A(41,40,74)           119.0234         -DE/DX =    0.0                 !
 ! A121  A(29,41,40)           117.8012         -DE/DX =    0.0                 !
 ! A122  A(29,41,75)           121.604          -DE/DX =    0.0                 !
 ! A123  A(40,41,75)           120.589          -DE/DX =    0.0                 !
 ! A124  A(26,42,43)           117.7095         -DE/DX =    0.0                 !
 ! A125  A(26,42,76)           121.7362         -DE/DX =    0.0                 !
 ! A126  A(43,42,76)           120.5533         -DE/DX =    0.0                 !
 ! A127  A(42,43,44)           121.4788         -DE/DX =    0.0                 !
 ! A128  A(42,43,77)           118.9642         -DE/DX =    0.0                 !
 ! A129  A(44,43,77)           119.5569         -DE/DX =    0.0                 !
 ! A130  A(43,44,45)           120.5293         -DE/DX =    0.0                 !
 ! A131  A(43,44,78)           119.6038         -DE/DX =    0.0                 !
 ! A132  A(45,44,78)           119.8658         -DE/DX =    0.0                 !
 ! A133  A(27,45,44)           119.0994         -DE/DX =    0.0                 !
 ! A134  A(27,45,79)           120.3385         -DE/DX =    0.0                 !
 ! A135  A(44,45,79)           120.5612         -DE/DX =    0.0                 !
 ! A136  A(32,46,47)           119.1465         -DE/DX =    0.0                 !
 ! A137  A(32,46,80)           120.3294         -DE/DX =    0.0                 !
 ! A138  A(47,46,80)           120.5232         -DE/DX =    0.0                 !
 ! A139  A(46,47,48)           120.5413         -DE/DX =    0.0                 !
 ! A140  A(46,47,81)           119.8654         -DE/DX =    0.0                 !
 ! A141  A(48,47,81)           119.5923         -DE/DX =    0.0                 !
 ! A142  A(47,48,49)           121.4421         -DE/DX =    0.0                 !
 ! A143  A(47,48,82)           119.5194         -DE/DX =    0.0                 !
 ! A144  A(49,48,82)           119.0383         -DE/DX =    0.0                 !
 ! A145  A(33,49,48)           117.7507         -DE/DX =    0.0                 !
 ! A146  A(33,49,83)           121.5374         -DE/DX =    0.0                 !
 ! A147  A(48,49,83)           120.7091         -DE/DX =    0.0                 !
 ! A148  A(30,50,51)           117.7323         -DE/DX =    0.0                 !
 ! A149  A(30,50,84)           121.5352         -DE/DX =    0.0                 !
 ! A150  A(51,50,84)           120.7301         -DE/DX =    0.0                 !
 ! A151  A(50,51,52)           121.4432         -DE/DX =    0.0                 !
 ! A152  A(50,51,85)           119.0462         -DE/DX =    0.0                 !
 ! A153  A(52,51,85)           119.5101         -DE/DX =    0.0                 !
 ! A154  A(51,52,53)           120.5471         -DE/DX =    0.0                 !
 ! A155  A(51,52,86)           119.595          -DE/DX =    0.0                 !
 ! A156  A(53,52,86)           119.8566         -DE/DX =    0.0                 !
 ! A157  A(31,53,52)           119.1441         -DE/DX =    0.0                 !
 ! A158  A(31,53,87)           120.3345         -DE/DX =    0.0                 !
 ! A159  A(52,53,87)           120.5204         -DE/DX =    0.0                 !
 ! A160  A(36,54,55)           119.1178         -DE/DX =    0.0                 !
 ! A161  A(36,54,88)           120.3452         -DE/DX =    0.0                 !
 ! A162  A(55,54,88)           120.5358         -DE/DX =    0.0                 !
 ! A163  A(54,55,56)           120.5563         -DE/DX =    0.0                 !
 ! A164  A(54,55,89)           119.8526         -DE/DX =    0.0                 !
 ! A165  A(56,55,89)           119.5889         -DE/DX =    0.0                 !
 ! A166  A(55,56,57)           121.4388         -DE/DX =    0.0                 !
 ! A167  A(55,56,90)           119.5519         -DE/DX =    0.0                 !
 ! A168  A(57,56,90)           119.0083         -DE/DX =    0.0                 !
 ! A169  A(37,57,56)           117.7106         -DE/DX =    0.0                 !
 ! A170  A(37,57,91)           121.7419         -DE/DX =    0.0                 !
 ! A171  A(56,57,91)           120.544          -DE/DX =    0.0                 !
 ! A172  A(34,58,59)           117.7451         -DE/DX =    0.0                 !
 ! A173  A(34,58,92)           121.6025         -DE/DX =    0.0                 !
 ! A174  A(59,58,92)           120.6499         -DE/DX =    0.0                 !
 ! A175  A(58,59,60)           121.454          -DE/DX =    0.0                 !
 ! A176  A(58,59,93)           119.0163         -DE/DX =    0.0                 !
 ! A177  A(60,59,93)           119.5295         -DE/DX =    0.0                 !
 ! A178  A(59,60,61)           120.5238         -DE/DX =    0.0                 !
 ! A179  A(59,60,94)           119.6114         -DE/DX =    0.0                 !
 ! A180  A(61,60,94)           119.8636         -DE/DX =    0.0                 !
 ! A181  A(35,61,60)           119.1317         -DE/DX =    0.0                 !
 ! A182  A(35,61,95)           120.3263         -DE/DX =    0.0                 !
 ! A183  A(60,61,95)           120.5408         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)              0.7349         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,62)          -177.9134         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)          -179.193          -DE/DX =    0.0                 !
 ! D4    D(23,1,2,62)            2.1587         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)              0.4304         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,64)          -178.5334         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)          -179.6417         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,64)            1.3945         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,30)         -129.7467         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,33)           50.5746         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,30)           50.3257         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,33)         -129.3529         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)             -1.4104         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)            179.7221         -DE/DX =    0.0                 !
 ! D15   D(62,2,3,4)           177.195          -DE/DX =    0.0                 !
 ! D16   D(62,2,3,7)            -1.6725         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)              0.946          -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)          -179.0508         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            179.8414         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)            -0.1554         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)            178.5754         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)            -2.2507         -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             -0.2753         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)           178.8986         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)              0.1852         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,63)           179.1873         -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)          -179.8179         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,63)           -0.8158         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)             0.2089         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)         -179.7533         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)          -179.7879         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)            0.2498         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)             -0.8844         -DE/DX =    0.0                 !
 ! D34   D(4,5,6,64)           178.0692         -DE/DX =    0.0                 !
 ! D35   D(63,5,6,1)          -179.8622         -DE/DX =    0.0                 !
 ! D36   D(63,5,6,64)           -0.9086         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              0.6401         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -179.4977         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)          -178.5549         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)            1.3072         -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          179.41           -DE/DX =    0.0                 !
 ! D42   D(3,7,11,65)           -2.3639         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)           -1.3973         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,65)          176.8287         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)            -0.5847         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)           179.2294         -DE/DX =    0.0                 !
 ! D47   D(14,8,9,10)          179.5568         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,15)           -0.6291         -DE/DX =    0.0                 !
 ! D49   D(7,8,14,13)           -0.2745         -DE/DX =    0.0                 !
 ! D50   D(7,8,14,67)          178.8728         -DE/DX =    0.0                 !
 ! D51   D(9,8,14,13)          179.5841         -DE/DX =    0.0                 !
 ! D52   D(9,8,14,67)           -1.2685         -DE/DX =    0.0                 !
 ! D53   D(8,9,10,4)             0.1633         -DE/DX =    0.0                 !
 ! D54   D(8,9,10,18)         -179.876          -DE/DX =    0.0                 !
 ! D55   D(15,9,10,4)         -179.6605         -DE/DX =    0.0                 !
 ! D56   D(15,9,10,18)           0.3002         -DE/DX =    0.0                 !
 ! D57   D(8,9,15,16)          179.7376         -DE/DX =    0.0                 !
 ! D58   D(8,9,15,68)           -1.2335         -DE/DX =    0.0                 !
 ! D59   D(8,9,15,96)           -1.7558         -DE/DX =    0.0                 !
 ! D60   D(10,9,15,16)          -0.4422         -DE/DX =    0.0                 !
 ! D61   D(10,9,15,68)         178.5867         -DE/DX =    0.0                 !
 ! D62   D(10,9,15,96)         178.0644         -DE/DX =    0.0                 !
 ! D63   D(4,10,18,17)         179.9009         -DE/DX =    0.0                 !
 ! D64   D(9,10,18,17)          -0.0603         -DE/DX =    0.0                 !
 ! D65   D(7,11,12,13)           0.4227         -DE/DX =    0.0                 !
 ! D66   D(7,11,12,24)        -179.6256         -DE/DX =    0.0                 !
 ! D67   D(65,11,12,13)       -177.8495         -DE/DX =    0.0                 !
 ! D68   D(65,11,12,24)          2.1022         -DE/DX =    0.0                 !
 ! D69   D(11,12,13,14)          0.6572         -DE/DX =    0.0                 !
 ! D70   D(11,12,13,66)       -177.9913         -DE/DX =    0.0                 !
 ! D71   D(24,12,13,14)       -179.2943         -DE/DX =    0.0                 !
 ! D72   D(24,12,13,66)          2.0572         -DE/DX =    0.0                 !
 ! D73   D(11,12,24,26)       -132.4397         -DE/DX =    0.0                 !
 ! D74   D(11,12,24,29)         46.9693         -DE/DX =    0.0                 !
 ! D75   D(13,12,24,26)         47.5114         -DE/DX =    0.0                 !
 ! D76   D(13,12,24,29)       -133.0796         -DE/DX =    0.0                 !
 ! D77   D(12,13,14,8)          -0.7223         -DE/DX =    0.0                 !
 ! D78   D(12,13,14,67)       -179.8911         -DE/DX =    0.0                 !
 ! D79   D(66,13,14,8)         177.9314         -DE/DX =    0.0                 !
 ! D80   D(66,13,14,67)         -1.2374         -DE/DX =    0.0                 !
 ! D81   D(9,15,16,17)           0.3468         -DE/DX =    0.0                 !
 ! D82   D(9,15,16,19)        -179.8785         -DE/DX =    0.0                 !
 ! D83   D(68,15,16,17)       -178.7762         -DE/DX =    0.0                 !
 ! D84   D(68,15,16,19)          0.9986         -DE/DX =    0.0                 !
 ! D85   D(96,15,16,17)       -178.4594         -DE/DX =    0.0                 !
 ! D86   D(96,15,16,19)          1.3154         -DE/DX =    0.0                 !
 ! D87   D(15,16,17,18)         -0.088          -DE/DX =    0.0                 !
 ! D88   D(15,16,17,22)       -179.1317         -DE/DX =    0.0                 !
 ! D89   D(19,16,17,18)       -179.8659         -DE/DX =    0.0                 !
 ! D90   D(19,16,17,22)          1.0904         -DE/DX =    0.0                 !
 ! D91   D(15,16,19,20)       -179.918          -DE/DX =    0.0                 !
 ! D92   D(15,16,19,69)         -1.1454         -DE/DX =    0.0                 !
 ! D93   D(17,16,19,20)         -0.1479         -DE/DX =    0.0                 !
 ! D94   D(17,16,19,69)        178.6248         -DE/DX =    0.0                 !
 ! D95   D(16,17,18,10)         -0.0461         -DE/DX =    0.0                 !
 ! D96   D(22,17,18,10)        178.9952         -DE/DX =    0.0                 !
 ! D97   D(16,17,22,21)         -1.1056         -DE/DX =    0.0                 !
 ! D98   D(16,17,22,71)        177.8461         -DE/DX =    0.0                 !
 ! D99   D(18,17,22,21)        179.8398         -DE/DX =    0.0                 !
 ! D100  D(18,17,22,71)         -1.2084         -DE/DX =    0.0                 !
 ! D101  D(16,19,20,21)         -0.7868         -DE/DX =    0.0                 !
 ! D102  D(16,19,20,70)        177.8482         -DE/DX =    0.0                 !
 ! D103  D(69,19,20,21)       -179.5138         -DE/DX =    0.0                 !
 ! D104  D(69,19,20,70)         -0.8789         -DE/DX =    0.0                 !
 ! D105  D(19,20,21,22)          0.7755         -DE/DX =    0.0                 !
 ! D106  D(19,20,21,25)        179.6866         -DE/DX =    0.0                 !
 ! D107  D(70,20,21,22)       -177.8723         -DE/DX =    0.0                 !
 ! D108  D(70,20,21,25)          1.0388         -DE/DX =    0.0                 !
 ! D109  D(20,21,22,17)          0.1981         -DE/DX =    0.0                 !
 ! D110  D(20,21,22,71)       -178.7156         -DE/DX =    0.0                 !
 ! D111  D(25,21,22,17)       -178.6938         -DE/DX =    0.0                 !
 ! D112  D(25,21,22,71)          2.3924         -DE/DX =    0.0                 !
 ! D113  D(20,21,25,34)       -130.8747         -DE/DX =    0.0                 !
 ! D114  D(20,21,25,37)         48.8072         -DE/DX =    0.0                 !
 ! D115  D(22,21,25,34)         48.0228         -DE/DX =    0.0                 !
 ! D116  D(22,21,25,37)       -132.2954         -DE/DX =    0.0                 !
 ! D117  D(1,23,30,31)        -179.7804         -DE/DX =    0.0                 !
 ! D118  D(1,23,30,50)           2.7547         -DE/DX =    0.0                 !
 ! D119  D(33,23,30,31)         -0.0543         -DE/DX =    0.0                 !
 ! D120  D(33,23,30,50)       -177.5192         -DE/DX =    0.0                 !
 ! D121  D(1,23,33,32)         179.6436         -DE/DX =    0.0                 !
 ! D122  D(1,23,33,49)           2.1324         -DE/DX =    0.0                 !
 ! D123  D(30,23,33,32)         -0.0816         -DE/DX =    0.0                 !
 ! D124  D(30,23,33,49)       -177.5928         -DE/DX =    0.0                 !
 ! D125  D(12,24,26,27)        179.3229         -DE/DX =    0.0                 !
 ! D126  D(12,24,26,42)          2.2107         -DE/DX =    0.0                 !
 ! D127  D(29,24,26,27)         -0.1739         -DE/DX =    0.0                 !
 ! D128  D(29,24,26,42)       -177.286          -DE/DX =    0.0                 !
 ! D129  D(12,24,29,28)       -179.5044         -DE/DX =    0.0                 !
 ! D130  D(12,24,29,41)          3.5374         -DE/DX =    0.0                 !
 ! D131  D(26,24,29,28)         -0.0097         -DE/DX =    0.0                 !
 ! D132  D(26,24,29,41)       -176.9679         -DE/DX =    0.0                 !
 ! D133  D(21,25,34,35)        179.2752         -DE/DX =    0.0                 !
 ! D134  D(21,25,34,58)          2.0193         -DE/DX =    0.0                 !
 ! D135  D(37,25,34,35)         -0.4525         -DE/DX =    0.0                 !
 ! D136  D(37,25,34,58)       -177.7085         -DE/DX =    0.0                 !
 ! D137  D(21,25,37,36)       -179.4369         -DE/DX =    0.0                 !
 ! D138  D(21,25,37,57)          3.3658         -DE/DX =    0.0                 !
 ! D139  D(34,25,37,36)          0.2922         -DE/DX =    0.0                 !
 ! D140  D(34,25,37,57)       -176.9051         -DE/DX =    0.0                 !
 ! D141  D(24,26,27,28)          0.2843         -DE/DX =    0.0                 !
 ! D142  D(24,26,27,45)       -178.8962         -DE/DX =    0.0                 !
 ! D143  D(42,26,27,28)        177.6772         -DE/DX =    0.0                 !
 ! D144  D(42,26,27,45)         -1.5033         -DE/DX =    0.0                 !
 ! D145  D(24,26,42,43)        178.3202         -DE/DX =    0.0                 !
 ! D146  D(24,26,42,76)         -1.3117         -DE/DX =    0.0                 !
 ! D147  D(27,26,42,43)          1.5265         -DE/DX =    0.0                 !
 ! D148  D(27,26,42,76)       -178.1054         -DE/DX =    0.0                 !
 ! D149  D(26,27,28,29)         -0.2861         -DE/DX =    0.0                 !
 ! D150  D(26,27,28,38)        178.5959         -DE/DX =    0.0                 !
 ! D151  D(45,27,28,29)        178.7365         -DE/DX =    0.0                 !
 ! D152  D(45,27,28,38)         -2.3815         -DE/DX =    0.0                 !
 ! D153  D(26,27,45,44)          0.4129         -DE/DX =    0.0                 !
 ! D154  D(26,27,45,79)       -179.9372         -DE/DX =    0.0                 !
 ! D155  D(28,27,45,44)       -178.5117         -DE/DX =    0.0                 !
 ! D156  D(28,27,45,79)          1.1381         -DE/DX =    0.0                 !
 ! D157  D(27,28,29,24)          0.1836         -DE/DX =    0.0                 !
 ! D158  D(27,28,29,41)        177.442          -DE/DX =    0.0                 !
 ! D159  D(38,28,29,24)       -178.8793         -DE/DX =    0.0                 !
 ! D160  D(38,28,29,41)         -1.621          -DE/DX =    0.0                 !
 ! D161  D(27,28,38,39)       -178.3159         -DE/DX =    0.0                 !
 ! D162  D(27,28,38,72)          1.2327         -DE/DX =    0.0                 !
 ! D163  D(29,28,38,39)          0.4541         -DE/DX =    0.0                 !
 ! D164  D(29,28,38,72)       -179.9973         -DE/DX =    0.0                 !
 ! D165  D(24,29,41,40)        178.2208         -DE/DX =    0.0                 !
 ! D166  D(24,29,41,75)         -0.908          -DE/DX =    0.0                 !
 ! D167  D(28,29,41,40)          1.595          -DE/DX =    0.0                 !
 ! D168  D(28,29,41,75)       -177.5338         -DE/DX =    0.0                 !
 ! D169  D(23,30,31,32)          0.1648         -DE/DX =    0.0                 !
 ! D170  D(23,30,31,53)       -179.0662         -DE/DX =    0.0                 !
 ! D171  D(50,30,31,32)        177.8726         -DE/DX =    0.0                 !
 ! D172  D(50,30,31,53)         -1.3583         -DE/DX =    0.0                 !
 ! D173  D(23,30,50,51)        178.5388         -DE/DX =    0.0                 !
 ! D174  D(23,30,50,84)         -0.9028         -DE/DX =    0.0                 !
 ! D175  D(31,30,50,51)          1.3534         -DE/DX =    0.0                 !
 ! D176  D(31,30,50,84)       -178.0881         -DE/DX =    0.0                 !
 ! D177  D(30,31,32,33)         -0.2114         -DE/DX =    0.0                 !
 ! D178  D(30,31,32,46)        178.8994         -DE/DX =    0.0                 !
 ! D179  D(53,31,32,33)        178.8681         -DE/DX =    0.0                 !
 ! D180  D(53,31,32,46)         -2.0211         -DE/DX =    0.0                 !
 ! D181  D(30,31,53,52)          0.3873         -DE/DX =    0.0                 !
 ! D182  D(30,31,53,87)       -179.9773         -DE/DX =    0.0                 !
 ! D183  D(32,31,53,52)       -178.6005         -DE/DX =    0.0                 !
 ! D184  D(32,31,53,87)          1.035          -DE/DX =    0.0                 !
 ! D185  D(31,32,33,23)          0.1815         -DE/DX =    0.0                 !
 ! D186  D(31,32,33,49)        177.9334         -DE/DX =    0.0                 !
 ! D187  D(46,32,33,23)       -179.0752         -DE/DX =    0.0                 !
 ! D188  D(46,32,33,49)         -1.3232         -DE/DX =    0.0                 !
 ! D189  D(31,32,46,47)       -178.6294         -DE/DX =    0.0                 !
 ! D190  D(31,32,46,80)          1.0298         -DE/DX =    0.0                 !
 ! D191  D(33,32,46,47)          0.3927         -DE/DX =    0.0                 !
 ! D192  D(33,32,46,80)       -179.9481         -DE/DX =    0.0                 !
 ! D193  D(23,33,49,48)        178.5182         -DE/DX =    0.0                 !
 ! D194  D(23,33,49,83)         -0.8827         -DE/DX =    0.0                 !
 ! D195  D(32,33,49,48)          1.2812         -DE/DX =    0.0                 !
 ! D196  D(32,33,49,83)       -178.1196         -DE/DX =    0.0                 !
 ! D197  D(25,34,35,36)          0.4327         -DE/DX =    0.0                 !
 ! D198  D(25,34,35,61)       -178.7975         -DE/DX =    0.0                 !
 ! D199  D(58,34,35,36)        177.9567         -DE/DX =    0.0                 !
 ! D200  D(58,34,35,61)         -1.2735         -DE/DX =    0.0                 !
 ! D201  D(25,34,58,59)        178.1278         -DE/DX =    0.0                 !
 ! D202  D(25,34,58,92)         -1.3            -DE/DX =    0.0                 !
 ! D203  D(35,34,58,59)          1.1752         -DE/DX =    0.0                 !
 ! D204  D(35,34,58,92)       -178.2525         -DE/DX =    0.0                 !
 ! D205  D(34,35,36,37)         -0.2502         -DE/DX =    0.0                 !
 ! D206  D(34,35,36,54)        178.6842         -DE/DX =    0.0                 !
 ! D207  D(61,35,36,37)        178.8309         -DE/DX =    0.0                 !
 ! D208  D(61,35,36,54)         -2.2347         -DE/DX =    0.0                 !
 ! D209  D(34,35,61,60)          0.4046         -DE/DX =    0.0                 !
 ! D210  D(34,35,61,95)       -179.9879         -DE/DX =    0.0                 !
 ! D211  D(36,35,61,60)       -178.5848         -DE/DX =    0.0                 !
 ! D212  D(36,35,61,95)          1.0226         -DE/DX =    0.0                 !
 ! D213  D(35,36,37,25)         -0.0237         -DE/DX =    0.0                 !
 ! D214  D(35,36,37,57)        177.443          -DE/DX =    0.0                 !
 ! D215  D(54,36,37,25)       -179.1319         -DE/DX =    0.0                 !
 ! D216  D(54,36,37,57)         -1.6652         -DE/DX =    0.0                 !
 ! D217  D(35,36,54,55)       -178.404          -DE/DX =    0.0                 !
 ! D218  D(35,36,54,88)          1.199          -DE/DX =    0.0                 !
 ! D219  D(37,36,54,55)          0.424          -DE/DX =    0.0                 !
 ! D220  D(37,36,54,88)       -179.973          -DE/DX =    0.0                 !
 ! D221  D(25,37,57,56)        178.6336         -DE/DX =    0.0                 !
 ! D222  D(25,37,57,91)         -0.6959         -DE/DX =    0.0                 !
 ! D223  D(36,37,57,56)          1.7463         -DE/DX =    0.0                 !
 ! D224  D(36,37,57,91)       -177.5833         -DE/DX =    0.0                 !
 ! D225  D(28,38,39,40)          0.666          -DE/DX =    0.0                 !
 ! D226  D(28,38,39,73)       -179.8756         -DE/DX =    0.0                 !
 ! D227  D(72,38,39,40)       -178.8816         -DE/DX =    0.0                 !
 ! D228  D(72,38,39,73)          0.5768         -DE/DX =    0.0                 !
 ! D229  D(38,39,40,41)         -0.6778         -DE/DX =    0.0                 !
 ! D230  D(38,39,40,74)        179.0379         -DE/DX =    0.0                 !
 ! D231  D(73,39,40,41)        179.8624         -DE/DX =    0.0                 !
 ! D232  D(73,39,40,74)         -0.4219         -DE/DX =    0.0                 !
 ! D233  D(39,40,41,29)         -0.4527         -DE/DX =    0.0                 !
 ! D234  D(39,40,41,75)        178.6854         -DE/DX =    0.0                 !
 ! D235  D(74,40,41,29)        179.8301         -DE/DX =    0.0                 !
 ! D236  D(74,40,41,75)         -1.0318         -DE/DX =    0.0                 !
 ! D237  D(26,42,43,44)         -0.5097         -DE/DX =    0.0                 !
 ! D238  D(26,42,43,77)        179.6276         -DE/DX =    0.0                 !
 ! D239  D(76,42,43,44)        179.1268         -DE/DX =    0.0                 !
 ! D240  D(76,42,43,77)         -0.7359         -DE/DX =    0.0                 !
 ! D241  D(42,43,44,45)         -0.5426         -DE/DX =    0.0                 !
 ! D242  D(42,43,44,78)        179.8394         -DE/DX =    0.0                 !
 ! D243  D(77,43,44,45)        179.3193         -DE/DX =    0.0                 !
 ! D244  D(77,43,44,78)         -0.2986         -DE/DX =    0.0                 !
 ! D245  D(43,44,45,27)          0.5829         -DE/DX =    0.0                 !
 ! D246  D(43,44,45,79)       -179.0661         -DE/DX =    0.0                 !
 ! D247  D(78,44,45,27)       -179.8001         -DE/DX =    0.0                 !
 ! D248  D(78,44,45,79)          0.5509         -DE/DX =    0.0                 !
 ! D249  D(32,46,47,48)          0.5192         -DE/DX =    0.0                 !
 ! D250  D(32,46,47,81)       -179.8508         -DE/DX =    0.0                 !
 ! D251  D(80,46,47,48)       -179.1394         -DE/DX =    0.0                 !
 ! D252  D(80,46,47,81)          0.4907         -DE/DX =    0.0                 !
 ! D253  D(46,47,48,49)         -0.5504         -DE/DX =    0.0                 !
 ! D254  D(46,47,48,82)        179.2802         -DE/DX =    0.0                 !
 ! D255  D(81,47,48,49)        179.8185         -DE/DX =    0.0                 !
 ! D256  D(81,47,48,82)         -0.3509         -DE/DX =    0.0                 !
 ! D257  D(47,48,49,33)         -0.3494         -DE/DX =    0.0                 !
 ! D258  D(47,48,49,83)        179.0566         -DE/DX =    0.0                 !
 ! D259  D(82,48,49,33)        179.8192         -DE/DX =    0.0                 !
 ! D260  D(82,48,49,83)         -0.7748         -DE/DX =    0.0                 !
 ! D261  D(30,50,51,52)         -0.4205         -DE/DX =    0.0                 !
 ! D262  D(30,50,51,85)        179.8448         -DE/DX =    0.0                 !
 ! D263  D(84,50,51,52)        179.0257         -DE/DX =    0.0                 !
 ! D264  D(84,50,51,85)         -0.709          -DE/DX =    0.0                 !
 ! D265  D(50,51,52,53)         -0.517          -DE/DX =    0.0                 !
 ! D266  D(50,51,52,86)        179.9077         -DE/DX =    0.0                 !
 ! D267  D(85,51,52,53)        179.2165         -DE/DX =    0.0                 !
 ! D268  D(85,51,52,86)         -0.3588         -DE/DX =    0.0                 !
 ! D269  D(51,52,53,31)          0.5252         -DE/DX =    0.0                 !
 ! D270  D(51,52,53,87)       -179.1095         -DE/DX =    0.0                 !
 ! D271  D(86,52,53,31)       -179.9005         -DE/DX =    0.0                 !
 ! D272  D(86,52,53,87)          0.4647         -DE/DX =    0.0                 !
 ! D273  D(36,54,55,56)          0.6565         -DE/DX =    0.0                 !
 ! D274  D(36,54,55,89)       -179.8792         -DE/DX =    0.0                 !
 ! D275  D(88,54,55,56)       -178.9457         -DE/DX =    0.0                 !
 ! D276  D(88,54,55,89)          0.5186         -DE/DX =    0.0                 !
 ! D277  D(54,55,56,57)         -0.5545         -DE/DX =    0.0                 !
 ! D278  D(54,55,56,90)        179.087          -DE/DX =    0.0                 !
 ! D279  D(89,55,56,57)        179.9797         -DE/DX =    0.0                 !
 ! D280  D(89,55,56,90)         -0.3787         -DE/DX =    0.0                 !
 ! D281  D(55,56,57,37)         -0.6421         -DE/DX =    0.0                 !
 ! D282  D(55,56,57,91)        178.6958         -DE/DX =    0.0                 !
 ! D283  D(90,56,57,37)        179.7144         -DE/DX =    0.0                 !
 ! D284  D(90,56,57,91)         -0.9476         -DE/DX =    0.0                 !
 ! D285  D(34,58,59,60)         -0.2463         -DE/DX =    0.0                 !
 ! D286  D(34,58,59,93)        179.8942         -DE/DX =    0.0                 !
 ! D287  D(92,58,59,60)        179.1872         -DE/DX =    0.0                 !
 ! D288  D(92,58,59,93)         -0.6723         -DE/DX =    0.0                 !
 ! D289  D(58,59,60,61)         -0.5951         -DE/DX =    0.0                 !
 ! D290  D(58,59,60,94)        179.7895         -DE/DX =    0.0                 !
 ! D291  D(93,59,60,61)        179.2637         -DE/DX =    0.0                 !
 ! D292  D(93,59,60,94)         -0.3517         -DE/DX =    0.0                 !
 ! D293  D(59,60,61,35)          0.5046         -DE/DX =    0.0                 !
 ! D294  D(59,60,61,95)       -179.102          -DE/DX =    0.0                 !
 ! D295  D(94,60,61,35)       -179.881          -DE/DX =    0.0                 !
 ! D296  D(94,60,61,95)          0.5125         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.035022    2.958487    0.093313
      2          6           0       -2.307970    1.594642    0.014369
      3          6           0       -1.276990    0.637540    0.001040
      4          6           0        0.060432    1.095869    0.039696
      5          6           0        0.326603    2.476723    0.110007
      6          6           0       -0.699199    3.400540    0.146108
      7          6           0       -1.551355   -0.806947   -0.076004
      8          6           0       -0.481422   -1.749765   -0.118000
      9          6           0        0.887079   -1.270330   -0.069781
     10          6           0        1.166435    0.144579    0.007001
     11          6           0       -2.867287   -1.291621   -0.092618
     12          6           0       -3.149639   -2.655601   -0.177410
     13          6           0       -2.087869   -3.575529   -0.239454
     14          6           0       -0.782112   -3.128345   -0.202626
     15          7           0        1.943830   -2.102791   -0.089982
     16          6           0        3.229712   -1.649362   -0.049820
     17          6           0        3.445431   -0.241052    0.023357
     18          7           0        2.403094    0.618921    0.050234
     19          6           0        4.331151   -2.539684   -0.074438
     20          6           0        5.603109   -2.022216   -0.029806
     21          6           0        5.839065   -0.614557    0.023767
     22          6           0        4.769017    0.259933    0.047703
     23          7           0       -3.094053    3.893319    0.121783
     24          7           0       -4.485542   -3.101694   -0.199290
     25          7           0        7.164748   -0.140011    0.074776
     26          6           0       -5.016394   -4.145010    0.582468
     27          6           0       -6.394448   -4.281280    0.286317
     28          6           0       -6.713987   -3.287857   -0.718610
     29          6           0       -5.520469   -2.576691   -0.994509
     30          6           0       -3.208126    5.028180   -0.697831
     31          6           0       -4.402279    5.714634   -0.365699
     32          6           0       -5.036999    4.968400    0.701345
     33          6           0       -4.208592    3.852273    0.976417
     34          6           0        7.669726    0.810470    0.981035
     35          6           0        9.047573    1.004911    0.716464
     36          6           0        9.391943    0.147588   -0.399641
     37          6           0        8.213012   -0.543185   -0.771771
     38          6           0       -7.887762   -2.964151   -1.407211
     39          6           0       -7.856731   -1.951140   -2.361081
     40          6           0       -6.660547   -1.271227   -2.640143
     41          6           0       -5.477974   -1.575034   -1.967948
     42          6           0       -4.398080   -4.932234    1.557291
     43          6           0       -5.177379   -5.884755    2.211212
     44          6           0       -6.540159   -6.046513    1.914142
     45          6           0       -7.155255   -5.244271    0.957834
     46          6           0       -6.208284    5.159250    1.442689
     47          6           0       -6.532128    4.249349    2.444498
     48          6           0       -5.690350    3.158781    2.717410
     49          6           0       -4.518726    2.945894    1.993634
     50          6           0       -2.375754    5.467781   -1.730564
     51          6           0       -2.743388    6.627138   -2.410813
     52          6           0       -3.913779    7.330022   -2.081233
     53          6           0       -4.748858    6.876142   -1.064695
     54          6           0       10.575870   -0.071857   -1.111689
     55          6           0       10.567666   -0.962113   -2.181495
     56          6           0        9.385000   -1.621973   -2.551950
     57          6           0        8.192030   -1.418920   -1.860412
     58          6           0        7.029499    1.466101    2.035320
     59          6           0        7.787042    2.343025    2.809696
     60          6           0        9.149217    2.561346    2.548558
     61          6           0        9.785539    1.891775    1.507630
     62          1           0       -3.344314    1.293939   -0.059278
     63          1           0        1.360361    2.797426    0.151811
     64          1           0       -0.486710    4.460094    0.231583
     65          1           0       -3.702385   -0.610012   -0.010465
     66          1           0       -2.290977   -4.635341   -0.338309
     67          1           0        0.013811   -3.867604   -0.254524
     68          1           0        1.863560   -3.219597   -0.124813
     69          1           0        4.139519   -3.608281   -0.107577
     70          1           0        6.454438   -2.693140   -0.012595
     71          1           0        4.910286    1.333469    0.067610
     72          1           0       -8.808779   -3.502597   -1.203952
     73          1           0       -8.761199   -1.688988   -2.900894
     74          1           0       -6.650741   -0.494234   -3.398498
     75          1           0       -4.557506   -1.056108   -2.209153
     76          1           0       -3.350940   -4.810606    1.808357
     77          1           0       -4.716128   -6.511777    2.968056
     78          1           0       -7.117930   -6.799844    2.440340
     79          1           0       -8.212755   -5.358736    0.738432
     80          1           0       -6.852344    6.010254    1.241204
     81          1           0       -7.439164    4.384806    3.025104
     82          1           0       -5.953133    2.465500    3.510669
     83          1           0       -3.869834    2.108696    2.224395
     84          1           0       -1.477986    4.925611   -2.004945
     85          1           0       -2.110624    6.989346   -3.215485
     86          1           0       -4.170653    8.230701   -2.629893
     87          1           0       -5.661239    7.412052   -0.819823
     88          1           0       11.486854    0.451248   -0.836118
     89          1           0       11.480030   -1.142832   -2.741010
     90          1           0        9.393728   -2.301780   -3.398423
     91          1           0        7.282560   -1.919886   -2.171898
     92          1           0        5.982049    1.297426    2.256609
     93          1           0        7.309692    2.865017    3.633474
     94          1           0        9.709964    3.253602    3.168653
     95          1           0       10.842567    2.049482    1.314525
     96         17           0        2.048256   -5.021791   -0.159072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463330           0.0189102           0.0145413

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.41654 -14.43068 -14.40201 -14.39862 -14.39853
 Alpha  occ. eigenvalues --  -14.37905 -10.29426 -10.27821 -10.27782 -10.27043
 Alpha  occ. eigenvalues --  -10.26884 -10.26367 -10.26330 -10.24148 -10.23943
 Alpha  occ. eigenvalues --  -10.23856 -10.23815 -10.23678 -10.23675 -10.23575
 Alpha  occ. eigenvalues --  -10.23569 -10.23448 -10.23063 -10.23001 -10.22379
 Alpha  occ. eigenvalues --  -10.22184 -10.22116 -10.22005 -10.21941 -10.21874
 Alpha  occ. eigenvalues --  -10.21286 -10.21137 -10.20102 -10.20085 -10.20079
 Alpha  occ. eigenvalues --  -10.20044 -10.19994 -10.19958 -10.19943 -10.19927
 Alpha  occ. eigenvalues --  -10.19904 -10.19902 -10.19885 -10.19862 -10.19832
 Alpha  occ. eigenvalues --  -10.19803 -10.19802 -10.19796 -10.19777 -10.19725
 Alpha  occ. eigenvalues --  -10.19709 -10.19675 -10.19631 -10.19617 -10.19557
 Alpha  occ. eigenvalues --  -10.19400 -10.19297 -10.19254 -10.19191 -10.19142
 Alpha  occ. eigenvalues --  -10.19059 -10.18906  -9.33297  -7.09184  -7.09003
 Alpha  occ. eigenvalues --   -7.08953  -1.03677  -1.00681  -1.00432  -1.00306
 Alpha  occ. eigenvalues --   -0.96493  -0.91499  -0.89064  -0.88610  -0.86671
 Alpha  occ. eigenvalues --   -0.85573  -0.85499  -0.85379  -0.85254  -0.85162
 Alpha  occ. eigenvalues --   -0.82558  -0.80986  -0.80472  -0.79526  -0.78877
 Alpha  occ. eigenvalues --   -0.78211  -0.76962  -0.76650  -0.76309  -0.75958
 Alpha  occ. eigenvalues --   -0.75816  -0.75190  -0.74622  -0.73514  -0.72766
 Alpha  occ. eigenvalues --   -0.72640  -0.72529  -0.72326  -0.71276  -0.69276
 Alpha  occ. eigenvalues --   -0.68757  -0.67060  -0.65922  -0.65799  -0.65059
 Alpha  occ. eigenvalues --   -0.64099  -0.63474  -0.62889  -0.62286  -0.61434
 Alpha  occ. eigenvalues --   -0.61228  -0.60683  -0.60498  -0.60157  -0.58639
 Alpha  occ. eigenvalues --   -0.58508  -0.58252  -0.58122  -0.57693  -0.57348
 Alpha  occ. eigenvalues --   -0.56091  -0.55007  -0.53439  -0.53196  -0.52751
 Alpha  occ. eigenvalues --   -0.52655  -0.52295  -0.51895  -0.51493  -0.51210
 Alpha  occ. eigenvalues --   -0.50549  -0.49858  -0.49515  -0.48779  -0.48628
 Alpha  occ. eigenvalues --   -0.47664  -0.47527  -0.46965  -0.46575  -0.46453
 Alpha  occ. eigenvalues --   -0.46371  -0.46249  -0.46109  -0.45966  -0.45286
 Alpha  occ. eigenvalues --   -0.44930  -0.44860  -0.44726  -0.44635  -0.44515
 Alpha  occ. eigenvalues --   -0.44293  -0.43956  -0.43354  -0.43288  -0.43164
 Alpha  occ. eigenvalues --   -0.43009  -0.42949  -0.42829  -0.42575  -0.42426
 Alpha  occ. eigenvalues --   -0.42313  -0.42205  -0.41981  -0.41006  -0.40478
 Alpha  occ. eigenvalues --   -0.40462  -0.39669  -0.38489  -0.37964  -0.37828
 Alpha  occ. eigenvalues --   -0.37646  -0.37371  -0.37344  -0.37166  -0.37103
 Alpha  occ. eigenvalues --   -0.36846  -0.36772  -0.36267  -0.36154  -0.35937
 Alpha  occ. eigenvalues --   -0.35116  -0.34920  -0.34789  -0.34615  -0.34510
 Alpha  occ. eigenvalues --   -0.34461  -0.34274  -0.33766  -0.33505  -0.31100
 Alpha  occ. eigenvalues --   -0.30808  -0.30185  -0.29410  -0.28897  -0.28755
 Alpha  occ. eigenvalues --   -0.28514  -0.26881  -0.26241  -0.26173  -0.26013
 Alpha  occ. eigenvalues --   -0.25913  -0.25316  -0.23264  -0.22406  -0.22296
 Alpha  occ. eigenvalues --   -0.22093  -0.21948  -0.21668  -0.21400  -0.21060
 Alpha  occ. eigenvalues --   -0.20699
 Alpha virt. eigenvalues --   -0.12658  -0.07768  -0.06306  -0.03804  -0.03712
 Alpha virt. eigenvalues --   -0.03494  -0.03265  -0.02472  -0.01528  -0.00487
 Alpha virt. eigenvalues --   -0.00392  -0.00188   0.00394   0.01695   0.02355
 Alpha virt. eigenvalues --    0.02743   0.03193   0.03273   0.03501   0.06355
 Alpha virt. eigenvalues --    0.07960   0.08780   0.09203   0.09613   0.09668
 Alpha virt. eigenvalues --    0.09751   0.09955   0.10027   0.10686   0.11162
 Alpha virt. eigenvalues --    0.12102   0.12221   0.12440   0.12687   0.13025
 Alpha virt. eigenvalues --    0.13660   0.14236   0.14571   0.14661   0.14899
 Alpha virt. eigenvalues --    0.15082   0.15109   0.15271   0.15312   0.15624
 Alpha virt. eigenvalues --    0.15836   0.16734   0.16977   0.17267   0.17406
 Alpha virt. eigenvalues --    0.17551   0.17645   0.17719   0.18012   0.18218
 Alpha virt. eigenvalues --    0.18636   0.18702   0.18899   0.18968   0.19110
 Alpha virt. eigenvalues --    0.19268   0.19373   0.19526   0.19986   0.20183
 Alpha virt. eigenvalues --    0.20492   0.20754   0.20785   0.21941   0.22352
 Alpha virt. eigenvalues --    0.22890   0.23851   0.24337   0.24360   0.24534
 Alpha virt. eigenvalues --    0.24664   0.25049   0.25190   0.25317   0.25428
 Alpha virt. eigenvalues --    0.25758   0.26265   0.26677   0.26714   0.27207
 Alpha virt. eigenvalues --    0.27725   0.28590   0.28709   0.28988   0.29457
 Alpha virt. eigenvalues --    0.29899   0.30407   0.30912   0.31197   0.31347
 Alpha virt. eigenvalues --    0.31969   0.32559   0.32779   0.33836   0.34297
 Alpha virt. eigenvalues --    0.34543   0.34934   0.34954   0.35710   0.36307
 Alpha virt. eigenvalues --    0.37021   0.37303   0.37783   0.37934   0.38107
 Alpha virt. eigenvalues --    0.38128   0.39307   0.39894   0.40279   0.40944
 Alpha virt. eigenvalues --    0.41290   0.42283   0.43859   0.44045   0.44251
 Alpha virt. eigenvalues --    0.44755   0.44941   0.45222   0.45993   0.46926
 Alpha virt. eigenvalues --    0.47398   0.48432   0.48565   0.48741   0.48914
 Alpha virt. eigenvalues --    0.49441   0.49563   0.50109   0.50249   0.50505
 Alpha virt. eigenvalues --    0.50612   0.50840   0.51186   0.51424   0.51579
 Alpha virt. eigenvalues --    0.51644   0.51987   0.52134   0.52271   0.52332
 Alpha virt. eigenvalues --    0.52620   0.52753   0.52811   0.52908   0.53272
 Alpha virt. eigenvalues --    0.53391   0.53528   0.53625   0.53826   0.54054
 Alpha virt. eigenvalues --    0.54188   0.54566   0.54604   0.54780   0.55134
 Alpha virt. eigenvalues --    0.55369   0.55511   0.55662   0.55830   0.56061
 Alpha virt. eigenvalues --    0.56176   0.56467   0.56635   0.56803   0.56938
 Alpha virt. eigenvalues --    0.56984   0.57148   0.57468   0.57583   0.57760
 Alpha virt. eigenvalues --    0.57852   0.57971   0.58303   0.58455   0.58634
 Alpha virt. eigenvalues --    0.58640   0.58747   0.58960   0.59057   0.59494
 Alpha virt. eigenvalues --    0.59721   0.59785   0.59943   0.60027   0.60331
 Alpha virt. eigenvalues --    0.60480   0.60544   0.60566   0.60636   0.60691
 Alpha virt. eigenvalues --    0.60835   0.60919   0.60938   0.61238   0.61315
 Alpha virt. eigenvalues --    0.61485   0.61543   0.61606   0.61763   0.61993
 Alpha virt. eigenvalues --    0.62388   0.62773   0.62914   0.63035   0.63191
 Alpha virt. eigenvalues --    0.63280   0.63387   0.63507   0.63694   0.63742
 Alpha virt. eigenvalues --    0.63864   0.64072   0.64403   0.64506   0.65253
 Alpha virt. eigenvalues --    0.66418   0.66506   0.67311   0.67715   0.68564
 Alpha virt. eigenvalues --    0.68839   0.68959   0.69725   0.69819   0.70294
 Alpha virt. eigenvalues --    0.70505   0.71236   0.71459   0.73069   0.73282
 Alpha virt. eigenvalues --    0.73465   0.75084   0.76097   0.76267   0.76836
 Alpha virt. eigenvalues --    0.76958   0.77472   0.77711   0.77938   0.78192
 Alpha virt. eigenvalues --    0.78547   0.78614   0.78665   0.78859   0.78961
 Alpha virt. eigenvalues --    0.79875   0.80128   0.80179   0.80447   0.80986
 Alpha virt. eigenvalues --    0.81081   0.81398   0.81508   0.81685   0.81712
 Alpha virt. eigenvalues --    0.81835   0.82018   0.82640   0.82738   0.82874
 Alpha virt. eigenvalues --    0.83010   0.83171   0.83416   0.83448   0.83665
 Alpha virt. eigenvalues --    0.83773   0.84074   0.84337   0.84747   0.84833
 Alpha virt. eigenvalues --    0.85331   0.86053   0.86188   0.86395   0.86814
 Alpha virt. eigenvalues --    0.87185   0.87534   0.87662   0.88016   0.88232
 Alpha virt. eigenvalues --    0.88286   0.88870   0.89027   0.89438   0.89508
 Alpha virt. eigenvalues --    0.89840   0.89934   0.90422   0.90551   0.91779
 Alpha virt. eigenvalues --    0.92150   0.92806   0.93265   0.93760   0.94153
 Alpha virt. eigenvalues --    0.94258   0.94743   0.95218   0.95811   0.96111
 Alpha virt. eigenvalues --    0.96334   0.97091   0.97348   0.97548   0.97755
 Alpha virt. eigenvalues --    0.97800   0.98022   0.98182   0.98343   0.98423
 Alpha virt. eigenvalues --    0.98520   0.98680   0.98776   0.99110   0.99256
 Alpha virt. eigenvalues --    0.99536   0.99862   1.00009   1.00371   1.01386
 Alpha virt. eigenvalues --    1.01779   1.02331   1.03924   1.04753   1.05447
 Alpha virt. eigenvalues --    1.05721   1.05764   1.06207   1.06626   1.07081
 Alpha virt. eigenvalues --    1.08466   1.09684   1.10096   1.10208   1.10760
 Alpha virt. eigenvalues --    1.10933   1.11138   1.12039   1.12118   1.12862
 Alpha virt. eigenvalues --    1.13010   1.13512   1.13660   1.13709   1.13869
 Alpha virt. eigenvalues --    1.14009   1.14463   1.15128   1.17283   1.17504
 Alpha virt. eigenvalues --    1.17843   1.18156   1.18276   1.18484   1.18839
 Alpha virt. eigenvalues --    1.19193   1.19727   1.19851   1.20036   1.20175
 Alpha virt. eigenvalues --    1.20549   1.20866   1.21005   1.21859   1.22414
 Alpha virt. eigenvalues --    1.23418   1.23606   1.24240   1.24575   1.24956
 Alpha virt. eigenvalues --    1.26292   1.26738   1.26840   1.27129   1.27226
 Alpha virt. eigenvalues --    1.28115   1.28650   1.29341   1.29562   1.29648
 Alpha virt. eigenvalues --    1.29941   1.30450   1.31051   1.31497   1.31966
 Alpha virt. eigenvalues --    1.32155   1.32377   1.33265   1.33633   1.33946
 Alpha virt. eigenvalues --    1.35172   1.35607   1.35737   1.35824   1.35951
 Alpha virt. eigenvalues --    1.36031   1.36077   1.36348   1.36576   1.37240
 Alpha virt. eigenvalues --    1.37428   1.37644   1.37866   1.37929   1.38214
 Alpha virt. eigenvalues --    1.38376   1.38638   1.39067   1.39289   1.39525
 Alpha virt. eigenvalues --    1.39957   1.40302   1.40391   1.40509   1.40542
 Alpha virt. eigenvalues --    1.40647   1.40810   1.40886   1.41044   1.41428
 Alpha virt. eigenvalues --    1.41682   1.41892   1.42069   1.42134   1.42949
 Alpha virt. eigenvalues --    1.43128   1.43368   1.44329   1.44600   1.45399
 Alpha virt. eigenvalues --    1.45804   1.46064   1.48265   1.48657   1.49743
 Alpha virt. eigenvalues --    1.50154   1.51281   1.56290   1.56664   1.57122
 Alpha virt. eigenvalues --    1.57926   1.59303   1.59452   1.59729   1.59996
 Alpha virt. eigenvalues --    1.60121   1.60235   1.61810   1.63539   1.65436
 Alpha virt. eigenvalues --    1.67624   1.67767   1.68625   1.68738   1.69833
 Alpha virt. eigenvalues --    1.70163   1.70746   1.70848   1.71574   1.71738
 Alpha virt. eigenvalues --    1.72405   1.72744   1.72891   1.74293   1.74546
 Alpha virt. eigenvalues --    1.74713   1.74887   1.74947   1.75113   1.75229
 Alpha virt. eigenvalues --    1.75423   1.75727   1.76040   1.76308   1.76638
 Alpha virt. eigenvalues --    1.76984   1.77128   1.77412   1.77959   1.78384
 Alpha virt. eigenvalues --    1.79123   1.79688   1.80042   1.80410   1.81090
 Alpha virt. eigenvalues --    1.81191   1.81697   1.82182   1.82435   1.82585
 Alpha virt. eigenvalues --    1.82810   1.83218   1.84369   1.84561   1.84898
 Alpha virt. eigenvalues --    1.86728   1.86885   1.87202   1.87283   1.87446
 Alpha virt. eigenvalues --    1.87713   1.88117   1.88249   1.88324   1.88640
 Alpha virt. eigenvalues --    1.88739   1.88897   1.89273   1.89370   1.89752
 Alpha virt. eigenvalues --    1.90069   1.90393   1.90834   1.90852   1.90971
 Alpha virt. eigenvalues --    1.91187   1.91451   1.91665   1.91731   1.92559
 Alpha virt. eigenvalues --    1.93048   1.93298   1.93607   1.93678   1.93933
 Alpha virt. eigenvalues --    1.94274   1.94557   1.95517   1.95836   1.95998
 Alpha virt. eigenvalues --    1.96379   1.96661   1.96877   1.97054   1.97217
 Alpha virt. eigenvalues --    1.97917   1.98449   1.98540   1.98777   1.98883
 Alpha virt. eigenvalues --    1.99292   1.99391   1.99688   1.99955   2.00306
 Alpha virt. eigenvalues --    2.00423   2.00760   2.02160   2.02288   2.02347
 Alpha virt. eigenvalues --    2.03097   2.03196   2.03357   2.04139   2.04403
 Alpha virt. eigenvalues --    2.04646   2.04980   2.07030   2.07152   2.07350
 Alpha virt. eigenvalues --    2.08023   2.09075   2.10204   2.10955   2.11088
 Alpha virt. eigenvalues --    2.11206   2.13723   2.14548   2.14586   2.15353
 Alpha virt. eigenvalues --    2.15576   2.15741   2.16941   2.17297   2.17360
 Alpha virt. eigenvalues --    2.17413   2.18031   2.18707   2.18953   2.19565
 Alpha virt. eigenvalues --    2.19758   2.20088   2.20445   2.20681   2.20854
 Alpha virt. eigenvalues --    2.21323   2.21676   2.22112   2.22753   2.23227
 Alpha virt. eigenvalues --    2.24253   2.24328   2.24658   2.26484   2.27055
 Alpha virt. eigenvalues --    2.27769   2.27856   2.28128   2.29013   2.29512
 Alpha virt. eigenvalues --    2.29621   2.29794   2.30198   2.30435   2.30903
 Alpha virt. eigenvalues --    2.31461   2.31745   2.32328   2.32488   2.33226
 Alpha virt. eigenvalues --    2.33658   2.33842   2.34079   2.34559   2.35153
 Alpha virt. eigenvalues --    2.36062   2.36140   2.36365   2.36540   2.36890
 Alpha virt. eigenvalues --    2.37039   2.37147   2.37243   2.37444   2.37776
 Alpha virt. eigenvalues --    2.38039   2.38427   2.38711   2.38836   2.39071
 Alpha virt. eigenvalues --    2.39264   2.39346   2.39945   2.40823   2.41102
 Alpha virt. eigenvalues --    2.41834   2.42094   2.42820   2.42943   2.43353
 Alpha virt. eigenvalues --    2.43438   2.43688   2.43819   2.43891   2.44250
 Alpha virt. eigenvalues --    2.44743   2.45229   2.45679   2.45731   2.46371
 Alpha virt. eigenvalues --    2.46710   2.46989   2.47035   2.47060   2.47526
 Alpha virt. eigenvalues --    2.47835   2.47961   2.49187   2.49606   2.50365
 Alpha virt. eigenvalues --    2.50405   2.50788   2.50865   2.51192   2.51388
 Alpha virt. eigenvalues --    2.51776   2.51870   2.52121   2.52322   2.52606
 Alpha virt. eigenvalues --    2.52977   2.53240   2.53456   2.53638   2.53950
 Alpha virt. eigenvalues --    2.54706   2.55100   2.55391   2.55690   2.56232
 Alpha virt. eigenvalues --    2.56529   2.56631   2.56862   2.56911   2.57085
 Alpha virt. eigenvalues --    2.57411   2.57748   2.58323   2.58838   2.59186
 Alpha virt. eigenvalues --    2.59250   2.59784   2.60039   2.60644   2.61031
 Alpha virt. eigenvalues --    2.61393   2.61754   2.62215   2.63036   2.64184
 Alpha virt. eigenvalues --    2.64336   2.64597   2.65096   2.65482   2.65694
 Alpha virt. eigenvalues --    2.66055   2.66733   2.67729   2.68445   2.68611
 Alpha virt. eigenvalues --    2.68690   2.68923   2.69590   2.69981   2.70663
 Alpha virt. eigenvalues --    2.71291   2.71638   2.72383   2.73182   2.73471
 Alpha virt. eigenvalues --    2.73805   2.73966   2.74120   2.74437   2.74500
 Alpha virt. eigenvalues --    2.75664   2.76009   2.76575   2.76975   2.77231
 Alpha virt. eigenvalues --    2.77952   2.78897   2.79583   2.80841   2.81630
 Alpha virt. eigenvalues --    2.81924   2.82423   2.82718   2.83496   2.83736
 Alpha virt. eigenvalues --    2.85149   2.85492   2.85755   2.87341   2.89571
 Alpha virt. eigenvalues --    2.89660   2.89903   2.90405   2.90833   2.91069
 Alpha virt. eigenvalues --    2.91305   2.91557   2.92706   2.94322   2.95256
 Alpha virt. eigenvalues --    2.95366   2.95970   2.97373   2.98770   3.00450
 Alpha virt. eigenvalues --    3.04623   3.05296   3.08926   3.10233   3.11256
 Alpha virt. eigenvalues --    3.12064   3.12348   3.12603   3.13263   3.14823
 Alpha virt. eigenvalues --    3.16282   3.17129   3.17976   3.18103   3.19628
 Alpha virt. eigenvalues --    3.21073   3.21192   3.21543   3.21811   3.23524
 Alpha virt. eigenvalues --    3.23688   3.23827   3.23934   3.24221   3.24267
 Alpha virt. eigenvalues --    3.24530   3.24678   3.25645   3.26411   3.27582
 Alpha virt. eigenvalues --    3.27924   3.29855   3.30392   3.30438   3.30674
 Alpha virt. eigenvalues --    3.32003   3.34756   3.35492   3.35895   3.36286
 Alpha virt. eigenvalues --    3.36385   3.36659   3.37155   3.42260   3.43285
 Alpha virt. eigenvalues --    3.43363   3.44957   3.45438   3.45946   3.46110
 Alpha virt. eigenvalues --    3.46177   3.47916   3.48545   3.50200   3.50293
 Alpha virt. eigenvalues --    3.51483   3.57679   3.71870   3.75873   3.80450
 Alpha virt. eigenvalues --    3.81053   3.81149   3.81790   3.89017   3.89065
 Alpha virt. eigenvalues --    3.89353   4.03486   4.07634   4.09661   4.10035
 Alpha virt. eigenvalues --    4.10240   4.10353   4.10950   4.12884   4.12981
 Alpha virt. eigenvalues --    4.13214   4.13315   4.13380   4.13650   4.14150
 Alpha virt. eigenvalues --    4.15136   4.17114   4.17339   4.17383   4.17628
 Alpha virt. eigenvalues --    4.17652   4.18021   4.18339   4.19836   4.19959
 Alpha virt. eigenvalues --    4.20143   4.20300   4.21604   4.22203   4.28308
 Alpha virt. eigenvalues --    4.35263   4.36219   4.36245   4.36529   4.37211
 Alpha virt. eigenvalues --    4.38077   4.40200   4.41094   4.43245   4.43402
 Alpha virt. eigenvalues --    4.43674   4.44000   4.45146   4.48352   4.49595
 Alpha virt. eigenvalues --    4.51625   4.51835   4.52049   4.52373   4.52514
 Alpha virt. eigenvalues --    4.52629   4.52641   4.61754   4.75822   4.80018
 Alpha virt. eigenvalues --    4.81821   4.83504   4.83948   4.88190   4.92143
 Alpha virt. eigenvalues --    4.92261   4.92507   4.98818
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.269648
     2  C   -0.169341
     3  C    0.060330
     4  C    0.046402
     5  C   -0.120795
     6  C   -0.103183
     7  C    0.045028
     8  C    0.086695
     9  C    0.317023
    10  C    0.252850
    11  C   -0.178777
    12  C    0.287094
    13  C   -0.124650
    14  C   -0.094915
    15  N   -0.667290
    16  C    0.327375
    17  C    0.278818
    18  N   -0.593620
    19  C   -0.103380
    20  C   -0.105537
    21  C    0.274524
    22  C   -0.137129
    23  N   -0.743173
    24  N   -0.747191
    25  N   -0.744191
    26  C    0.292524
    27  C    0.042131
    28  C    0.041438
    29  C    0.293546
    30  C    0.293160
    31  C    0.041104
    32  C    0.041726
    33  C    0.292597
    34  C    0.294996
    35  C    0.041491
    36  C    0.042816
    37  C    0.291836
    38  C   -0.131917
    39  C   -0.097877
    40  C   -0.097403
    41  C   -0.110486
    42  C   -0.108920
    43  C   -0.098270
    44  C   -0.097697
    45  C   -0.132122
    46  C   -0.132143
    47  C   -0.098596
    48  C   -0.097226
    49  C   -0.111251
    50  C   -0.110668
    51  C   -0.098275
    52  C   -0.098927
    53  C   -0.132277
    54  C   -0.131729
    55  C   -0.097812
    56  C   -0.097741
    57  C   -0.111122
    58  C   -0.107605
    59  C   -0.098115
    60  C   -0.098039
    61  C   -0.131884
    62  H    0.121439
    63  H    0.126621
    64  H    0.118460
    65  H    0.119922
    66  H    0.132689
    67  H    0.135046
    68  H    0.251049
    69  H    0.176638
    70  H    0.135064
    71  H    0.128447
    72  H    0.089778
    73  H    0.085688
    74  H    0.088633
    75  H    0.094641
    76  H    0.104540
    77  H    0.091975
    78  H    0.085923
    79  H    0.088879
    80  H    0.089121
    81  H    0.085574
    82  H    0.089136
    83  H    0.093871
    84  H    0.094373
    85  H    0.087354
    86  H    0.085047
    87  H    0.089255
    88  H    0.090208
    89  H    0.087039
    90  H    0.091659
    91  H    0.100476
    92  H    0.095229
    93  H    0.088440
    94  H    0.086198
    95  H    0.090290
    96  Cl  -0.612579
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.269648
     2  C   -0.047902
     3  C    0.060330
     4  C    0.046402
     5  C    0.005826
     6  C    0.015277
     7  C    0.045028
     8  C    0.086695
     9  C    0.317023
    10  C    0.252850
    11  C   -0.058856
    12  C    0.287094
    13  C    0.008040
    14  C    0.040131
    15  N   -0.416241
    16  C    0.327375
    17  C    0.278818
    18  N   -0.593620
    19  C    0.073258
    20  C    0.029528
    21  C    0.274524
    22  C   -0.008682
    23  N   -0.743173
    24  N   -0.747191
    25  N   -0.744191
    26  C    0.292524
    27  C    0.042131
    28  C    0.041438
    29  C    0.293546
    30  C    0.293160
    31  C    0.041104
    32  C    0.041726
    33  C    0.292597
    34  C    0.294996
    35  C    0.041491
    36  C    0.042816
    37  C    0.291836
    38  C   -0.042139
    39  C   -0.012189
    40  C   -0.008769
    41  C   -0.015845
    42  C   -0.004381
    43  C   -0.006295
    44  C   -0.011774
    45  C   -0.043244
    46  C   -0.043023
    47  C   -0.013022
    48  C   -0.008090
    49  C   -0.017381
    50  C   -0.016295
    51  C   -0.010921
    52  C   -0.013880
    53  C   -0.043022
    54  C   -0.041521
    55  C   -0.010773
    56  C   -0.006081
    57  C   -0.010646
    58  C   -0.012376
    59  C   -0.009675
    60  C   -0.011840
    61  C   -0.041594
    96  Cl  -0.612579
 Electronic spatial extent (au):  <R**2>=          69085.0541
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1468    Y=              7.6733    Z=              0.2287  Tot=              7.7619
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -307.5808   YY=           -389.0532   ZZ=           -351.4354
   XY=             19.0383   XZ=             -4.3793   YZ=             -5.6054
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             41.7757   YY=            -39.6967   ZZ=             -2.0790
   XY=             19.0383   XZ=             -4.3793   YZ=             -5.6054
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            151.9256  YYY=            307.4039  ZZZ=              1.3031  XYY=           -184.4028
  XXY=             19.5712  XXZ=            -26.7293  XZZ=              8.5785  YZZ=              7.9623
  YYZ=             15.5660  XYZ=             82.7422
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -60569.3529 YYYY=         -26008.3178 ZZZZ=          -4250.6300 XXXY=            629.2016
 XXXZ=           -539.7949 YYYX=            412.6579 YYYZ=           -729.5755 ZZZX=            -64.9480
 ZZZY=            -34.5243 XXYY=         -14535.9647 XXZZ=         -11567.9025 YYZZ=          -4760.7391
 XXYZ=            465.4870 YYXZ=           -105.4662 ZZXY=             -1.7864
 N-N= 7.845313766766D+03 E-N=-2.240717721874D+04  KE= 2.863896598183D+03
 1\1\GINC-W1306\FOpt\RB3LYP\6-31G(d,p)\C56H34Cl1N5\SC70848\21-Jun-2022\
 0\\# opt freq b3lyp/6-31g(d,p) geom=connectivity\\Title Card Required\
 \0,1\C,-4.1894771402,2.9272225948,-0.1667297177\C,-4.1482048524,1.5395
 865858,-0.2832107409\C,-2.9289778809,0.8377412218,-0.2897455744\C,-1.7
 293667632,1.5820232106,-0.2046913766\C,-1.7808669405,2.9849561219,-0.0
 96645498\C,-2.9880812286,3.6548978348,-0.0679483035\C,-2.8710617704,-0
 .6288364677,-0.4061513142\C,-1.6164660606,-1.3072691229,-0.4399624652\
 C,-0.3915053307,-0.53574463,-0.3440408613\C,-0.4379275785,0.9031361655
 ,-0.2284166635\C,-4.0443070715,-1.3945944967,-0.4691766739\C,-4.012041
 3782,-2.7843016985,-0.5917607158\C,-2.7700951552,-3.4417015595,-0.6453
 229426\C,-1.5988005437,-2.715302614,-0.5632015679\N,0.8250569702,-1.11
 01996701,-0.3539859644\C,1.975515558,-0.3822483299,-0.2689334232\C,1.8
 686453009,1.0360854864,-0.158784103\N,0.6598204644,1.6403825882,-0.141
 16756\C,3.2486764202,-1.002974189,-0.2833616776\C,4.3711274851,-0.2158
 624112,-0.1928017264\C,4.2845413604,1.2069011456,-0.1017095923\C,3.045
 5280506,1.8192326411,-0.0874624889\N,-5.4313717897,3.6006838764,-0.146
 3170664\N,-5.2132748004,-3.5167853204,-0.6597375082\N,5.4688172577,1.9
 640192757,-0.0042694643\C,-5.5135869477,-4.6735249136,0.0840533969\C,-
 6.8194025429,-5.1059738105,-0.2523128918\C,-7.3316953837,-4.1816585818
 ,-1.2433083534\C,-6.3221766311,-3.2144842416,-1.4709242334\C,-5.779135
 2204,4.7035864269,-0.943408295\C,-7.1035684803,5.0964646117,-0.6286812
 761\C,-7.5777661165,4.1980936499,0.4039765463\C,-6.5264890807,3.288078
 7953,0.6766516707\C,5.7284465296,2.9778706565,0.9361662468\C,7.0330772
 722,3.4824485598,0.7134360343\C,7.5846482807,2.7549115561,-0.411616568
 6\C,6.5986982288,1.8287760068,-0.830784375\C,-8.5330810841,-4.10945373
 72,-1.9561637309\C,-8.7092816968,-3.0891462317,-2.8861891773\C,-7.6900
 970043,-2.151739337,-3.1175859358\C,-6.4842434744,-2.2021367864,-2.420
 4477064\C,-4.7557277883,-5.3293537971,1.0576301108\C,-5.3157069425,-6.
 4495990793,1.6689318985\C,-6.600910786,-6.9034446181,1.3314973634\C,-7
 .3593963546,-6.2327757678,0.3768429909\C,-8.7776879072,4.1018868777,1.
 1173173502\C,-8.9109175806,3.1153020962,2.0895912261\C,-7.8522917067,2
 .2332372342,2.3610368756\C,-6.6474806287,2.3075627143,1.6647742696\C,-
 5.0444024071,5.3464032698,-1.9432006887\C,-5.6477041792,6.4126745182,-
 2.6073492427\C,-6.9526116115,6.8269403463,-2.2941645924\C,-7.686435248
 8,6.1700546621,-1.3109459886\C,8.8026641328,2.8252714288,-1.0959687937
 \C,9.017087574,1.9855995483,-2.1850424872\C,8.0205376714,1.0887040352,
 -2.6019539998\C,6.797823187,1.0009188412,-1.9387074939\C,4.9351184331,
 3.4445066042,1.9869470874\C,5.4601456837,4.4467581382,2.8008039163\C,6
 .7440826758,4.9710078321,2.5816073422\C,7.5364419958,4.4895479817,1.54
 37615389\H,-5.0890199325,1.0171139897,-0.3915791467\H,-0.8463671932,3.
 5272177782,-0.0197273805\H,-3.0202366182,4.7323654283,0.0466857581\H,-
 5.0124396765,-0.9193136373,-0.3946428719\H,-2.7284551489,-4.5169552874
 ,-0.7730807116\H,-0.6565734861,-3.2563423975,-0.6098365215\H,0.9977764
 969,-2.2153123382,-0.4156882178\H,3.3020551022,-2.0860404673,-0.345326
 588\H,5.3505464129,-0.679852647,-0.1673559298\H,2.9422563315,2.8962252
 571,-0.0399783484\H,-9.3142191533,-4.8454555328,-1.7899278481\H,-9.637
 6763779,-3.0208632977,-3.4444048397\H,-7.8383067068,-1.3715372635,-3.8
 58015504\H,-5.6984519766,-1.4842276776,-2.6250519442\H,-3.7680901223,-
 4.9838524952,1.3396386898\H,-4.7420868209,-6.9784017515,2.4239479324\H
 ,-7.0064090283,-7.7810599758,1.825028485\H,-8.3594146202,-6.5744869306
 ,0.1263563562\H,-9.5915365052,4.7927326051,0.9173173597\H,-9.837506662
 8,3.0286000999,2.6482350122\H,-7.9700720637,1.4771183537,3.1313387228\
 H,-5.8326453421,1.6304391033,1.8944692115\H,-4.0423132912,5.0262961804
 ,-2.2050590503\H,-5.0950228514,6.9291885052,-3.3863476179\H,-7.3928751
 559,7.6622803888,-2.8295241298\H,-8.7007259366,6.4816132424,-1.0791142
 532\H,9.5671750388,3.5308502287,-0.78427861\H,9.9585543614,2.028808636
 8,-2.7234644087\H,8.1995162988,0.4516895214,-3.4627156039\H,6.03059950
 25,0.3182409502,-2.2857592306\H,3.9475679132,3.0400405533,2.1759538717
 \H,4.860406678,4.825942918,3.6226799331\H,7.122046577,5.7536304175,3.2
 318528068\H,8.5351762186,4.8846871496,1.3829375971\Cl,1.5821902951,-3.
 9290433366,-0.4847980237\\Version=ES64L-G16RevA.03\State=1-A\HF=-2888.
 5879402\RMSD=6.379e-09\RMSF=3.179e-06\Dipole=-1.1178408,2.8381199,0.14
 4508\Quadrupole=21.9216353,-20.0423879,-1.8792475,26.0954517,-1.013973
 3,-4.7413162\PG=C01 [X(C56H34Cl1N5)]\\@


 TO SEE A WORLD IN A GRAIN OF SAND
 AND A HEAVEN IN A WILD FLOWER
 HOLD INFINITY IN THE PALM OF YOUR HAND
 AND ETERNITY IN AN HOUR

                       -- WILLIAM BLAKE
 Job cpu time:       1 days  3 hours 35 minutes 37.2 seconds.
 Elapsed time:       0 days  0 hours 26 minutes 45.4 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     93 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 10:24:08 2022.
 Link1:  Proceeding to internal job step number  2.
 ----------------------------------------------------------------------
 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d,p) Freq
 ----------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=1,6=6,7=101,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Structure from the checkpoint file:  "ch.chk"
 -------------------
 Title Card Required
 -------------------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 C,0,-4.1894771402,2.9272225948,-0.1667297177
 C,0,-4.1482048524,1.5395865858,-0.2832107409
 C,0,-2.9289778809,0.8377412218,-0.2897455744
 C,0,-1.7293667632,1.5820232106,-0.2046913766
 C,0,-1.7808669405,2.9849561219,-0.096645498
 C,0,-2.9880812286,3.6548978348,-0.0679483035
 C,0,-2.8710617704,-0.6288364677,-0.4061513142
 C,0,-1.6164660606,-1.3072691229,-0.4399624652
 C,0,-0.3915053307,-0.53574463,-0.3440408613
 C,0,-0.4379275785,0.9031361655,-0.2284166635
 C,0,-4.0443070715,-1.3945944967,-0.4691766739
 C,0,-4.0120413782,-2.7843016985,-0.5917607158
 C,0,-2.7700951552,-3.4417015595,-0.6453229426
 C,0,-1.5988005437,-2.715302614,-0.5632015679
 N,0,0.8250569702,-1.1101996701,-0.3539859644
 C,0,1.975515558,-0.3822483299,-0.2689334232
 C,0,1.8686453009,1.0360854864,-0.158784103
 N,0,0.6598204644,1.6403825882,-0.14116756
 C,0,3.2486764202,-1.002974189,-0.2833616776
 C,0,4.3711274851,-0.2158624112,-0.1928017264
 C,0,4.2845413604,1.2069011456,-0.1017095923
 C,0,3.0455280506,1.8192326411,-0.0874624889
 N,0,-5.4313717897,3.6006838764,-0.1463170664
 N,0,-5.2132748004,-3.5167853204,-0.6597375082
 N,0,5.4688172577,1.9640192757,-0.0042694643
 C,0,-5.5135869477,-4.6735249136,0.0840533969
 C,0,-6.8194025429,-5.1059738105,-0.2523128918
 C,0,-7.3316953837,-4.1816585818,-1.2433083534
 C,0,-6.3221766311,-3.2144842416,-1.4709242334
 C,0,-5.7791352204,4.7035864269,-0.943408295
 C,0,-7.1035684803,5.0964646117,-0.6286812761
 C,0,-7.5777661165,4.1980936499,0.4039765463
 C,0,-6.5264890807,3.2880787953,0.6766516707
 C,0,5.7284465296,2.9778706565,0.9361662468
 C,0,7.0330772722,3.4824485598,0.7134360343
 C,0,7.5846482807,2.7549115561,-0.4116165686
 C,0,6.5986982288,1.8287760068,-0.830784375
 C,0,-8.5330810841,-4.1094537372,-1.9561637309
 C,0,-8.7092816968,-3.0891462317,-2.8861891773
 C,0,-7.6900970043,-2.151739337,-3.1175859358
 C,0,-6.4842434744,-2.2021367864,-2.4204477064
 C,0,-4.7557277883,-5.3293537971,1.0576301108
 C,0,-5.3157069425,-6.4495990793,1.6689318985
 C,0,-6.600910786,-6.9034446181,1.3314973634
 C,0,-7.3593963546,-6.2327757678,0.3768429909
 C,0,-8.7776879072,4.1018868777,1.1173173502
 C,0,-8.9109175806,3.1153020962,2.0895912261
 C,0,-7.8522917067,2.2332372342,2.3610368756
 C,0,-6.6474806287,2.3075627143,1.6647742696
 C,0,-5.0444024071,5.3464032698,-1.9432006887
 C,0,-5.6477041792,6.4126745182,-2.6073492427
 C,0,-6.9526116115,6.8269403463,-2.2941645924
 C,0,-7.6864352488,6.1700546621,-1.3109459886
 C,0,8.8026641328,2.8252714288,-1.0959687937
 C,0,9.017087574,1.9855995483,-2.1850424872
 C,0,8.0205376714,1.0887040352,-2.6019539998
 C,0,6.797823187,1.0009188412,-1.9387074939
 C,0,4.9351184331,3.4445066042,1.9869470874
 C,0,5.4601456837,4.4467581382,2.8008039163
 C,0,6.7440826758,4.9710078321,2.5816073422
 C,0,7.5364419958,4.4895479817,1.5437615389
 H,0,-5.0890199325,1.0171139897,-0.3915791467
 H,0,-0.8463671932,3.5272177782,-0.0197273805
 H,0,-3.0202366182,4.7323654283,0.0466857581
 H,0,-5.0124396765,-0.9193136373,-0.3946428719
 H,0,-2.7284551489,-4.5169552874,-0.7730807116
 H,0,-0.6565734861,-3.2563423975,-0.6098365215
 H,0,0.9977764969,-2.2153123382,-0.4156882178
 H,0,3.3020551022,-2.0860404673,-0.345326588
 H,0,5.3505464129,-0.679852647,-0.1673559298
 H,0,2.9422563315,2.8962252571,-0.0399783484
 H,0,-9.3142191533,-4.8454555328,-1.7899278481
 H,0,-9.6376763779,-3.0208632977,-3.4444048397
 H,0,-7.8383067068,-1.3715372635,-3.858015504
 H,0,-5.6984519766,-1.4842276776,-2.6250519442
 H,0,-3.7680901223,-4.9838524952,1.3396386898
 H,0,-4.7420868209,-6.9784017515,2.4239479324
 H,0,-7.0064090283,-7.7810599758,1.825028485
 H,0,-8.3594146202,-6.5744869306,0.1263563562
 H,0,-9.5915365052,4.7927326051,0.9173173597
 H,0,-9.8375066628,3.0286000999,2.6482350122
 H,0,-7.9700720637,1.4771183537,3.1313387228
 H,0,-5.8326453421,1.6304391033,1.8944692115
 H,0,-4.0423132912,5.0262961804,-2.2050590503
 H,0,-5.0950228514,6.9291885052,-3.3863476179
 H,0,-7.3928751559,7.6622803888,-2.8295241298
 H,0,-8.7007259366,6.4816132424,-1.0791142532
 H,0,9.5671750388,3.5308502287,-0.78427861
 H,0,9.9585543614,2.0288086368,-2.7234644087
 H,0,8.1995162988,0.4516895214,-3.4627156039
 H,0,6.0305995025,0.3182409502,-2.2857592306
 H,0,3.9475679132,3.0400405533,2.1759538717
 H,0,4.860406678,4.825942918,3.6226799331
 H,0,7.122046577,5.7536304175,3.2318528068
 H,0,8.5351762186,4.8846871496,1.3829375971
 Cl,0,1.5821902951,-3.9290433366,-0.4847980237
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3931         calculate D2E/DX2 analytically  !
 ! R2    R(1,6)                  1.4081         calculate D2E/DX2 analytically  !
 ! R3    R(1,23)                 1.4129         calculate D2E/DX2 analytically  !
 ! R4    R(2,3)                  1.4068         calculate D2E/DX2 analytically  !
 ! R5    R(2,62)                 1.0816         calculate D2E/DX2 analytically  !
 ! R6    R(3,4)                  1.4143         calculate D2E/DX2 analytically  !
 ! R7    R(3,7)                  1.4723         calculate D2E/DX2 analytically  !
 ! R8    R(4,5)                  1.408          calculate D2E/DX2 analytically  !
 ! R9    R(4,10)                 1.4592         calculate D2E/DX2 analytically  !
 ! R10   R(5,6)                  1.3809         calculate D2E/DX2 analytically  !
 ! R11   R(5,63)                 1.0832         calculate D2E/DX2 analytically  !
 ! R12   R(6,64)                 1.084          calculate D2E/DX2 analytically  !
 ! R13   R(7,8)                  1.4267         calculate D2E/DX2 analytically  !
 ! R14   R(7,11)                 1.4024         calculate D2E/DX2 analytically  !
 ! R15   R(8,9)                  1.4509         calculate D2E/DX2 analytically  !
 ! R16   R(8,14)                 1.4135         calculate D2E/DX2 analytically  !
 ! R17   R(9,10)                 1.4443         calculate D2E/DX2 analytically  !
 ! R18   R(9,15)                 1.3454         calculate D2E/DX2 analytically  !
 ! R19   R(10,18)                1.3252         calculate D2E/DX2 analytically  !
 ! R20   R(11,12)                1.3955         calculate D2E/DX2 analytically  !
 ! R21   R(11,65)                1.0811         calculate D2E/DX2 analytically  !
 ! R22   R(12,13)                1.4062         calculate D2E/DX2 analytically  !
 ! R23   R(12,24)                1.4086         calculate D2E/DX2 analytically  !
 ! R24   R(13,14)                1.3807         calculate D2E/DX2 analytically  !
 ! R25   R(13,66)                1.0836         calculate D2E/DX2 analytically  !
 ! R26   R(14,67)                1.0875         calculate D2E/DX2 analytically  !
 ! R27   R(15,16)                1.3641         calculate D2E/DX2 analytically  !
 ! R28   R(15,68)                1.1202         calculate D2E/DX2 analytically  !
 ! R29   R(15,96)                2.9217         calculate D2E/DX2 analytically  !
 ! R30   R(16,17)                1.4266         calculate D2E/DX2 analytically  !
 ! R31   R(16,19)                1.4165         calculate D2E/DX2 analytically  !
 ! R32   R(17,18)                1.3516         calculate D2E/DX2 analytically  !
 ! R33   R(17,22)                1.4154         calculate D2E/DX2 analytically  !
 ! R34   R(19,20)                1.3739         calculate D2E/DX2 analytically  !
 ! R35   R(19,69)                1.0861         calculate D2E/DX2 analytically  !
 ! R36   R(20,21)                1.4283         calculate D2E/DX2 analytically  !
 ! R37   R(20,70)                1.0841         calculate D2E/DX2 analytically  !
 ! R38   R(21,22)                1.3821         calculate D2E/DX2 analytically  !
 ! R39   R(21,25)                1.409          calculate D2E/DX2 analytically  !
 ! R40   R(22,71)                1.083          calculate D2E/DX2 analytically  !
 ! R41   R(23,30)                1.4045         calculate D2E/DX2 analytically  !
 ! R42   R(23,33)                1.4051         calculate D2E/DX2 analytically  !
 ! R43   R(24,26)                1.4076         calculate D2E/DX2 analytically  !
 ! R44   R(24,29)                1.4068         calculate D2E/DX2 analytically  !
 ! R45   R(25,34)                1.407          calculate D2E/DX2 analytically  !
 ! R46   R(25,37)                1.4064         calculate D2E/DX2 analytically  !
 ! R47   R(26,27)                1.4161         calculate D2E/DX2 analytically  !
 ! R48   R(26,42)                1.3973         calculate D2E/DX2 analytically  !
 ! R49   R(27,28)                1.4487         calculate D2E/DX2 analytically  !
 ! R50   R(27,45)                1.399          calculate D2E/DX2 analytically  !
 ! R51   R(28,29)                1.4165         calculate D2E/DX2 analytically  !
 ! R52   R(28,38)                1.3988         calculate D2E/DX2 analytically  !
 ! R53   R(29,41)                1.3974         calculate D2E/DX2 analytically  !
 ! R54   R(30,31)                1.4169         calculate D2E/DX2 analytically  !
 ! R55   R(30,50)                1.3974         calculate D2E/DX2 analytically  !
 ! R56   R(31,32)                1.4486         calculate D2E/DX2 analytically  !
 ! R57   R(31,53)                1.3992         calculate D2E/DX2 analytically  !
 ! R58   R(32,33)                1.4169         calculate D2E/DX2 analytically  !
 ! R59   R(32,46)                1.3993         calculate D2E/DX2 analytically  !
 ! R60   R(33,49)                1.3973         calculate D2E/DX2 analytically  !
 ! R61   R(34,35)                1.4164         calculate D2E/DX2 analytically  !
 ! R62   R(34,58)                1.3969         calculate D2E/DX2 analytically  !
 ! R63   R(35,36)                1.4489         calculate D2E/DX2 analytically  !
 ! R64   R(35,61)                1.399          calculate D2E/DX2 analytically  !
 ! R65   R(36,37)                1.4162         calculate D2E/DX2 analytically  !
 ! R66   R(36,54)                1.3989         calculate D2E/DX2 analytically  !
 ! R67   R(37,57)                1.3973         calculate D2E/DX2 analytically  !
 ! R68   R(38,39)                1.3918         calculate D2E/DX2 analytically  !
 ! R69   R(38,72)                1.0861         calculate D2E/DX2 analytically  !
 ! R70   R(39,40)                1.4039         calculate D2E/DX2 analytically  !
 ! R71   R(39,73)                1.0854         calculate D2E/DX2 analytically  !
 ! R72   R(40,41)                1.3938         calculate D2E/DX2 analytically  !
 ! R73   R(40,74)                1.0858         calculate D2E/DX2 analytically  !
 ! R74   R(41,75)                1.0838         calculate D2E/DX2 analytically  !
 ! R75   R(42,43)                1.3936         calculate D2E/DX2 analytically  !
 ! R76   R(42,76)                1.0837         calculate D2E/DX2 analytically  !
 ! R77   R(43,44)                1.4041         calculate D2E/DX2 analytically  !
 ! R78   R(43,77)                1.0857         calculate D2E/DX2 analytically  !
 ! R79   R(44,45)                1.3916         calculate D2E/DX2 analytically  !
 ! R80   R(44,78)                1.0855         calculate D2E/DX2 analytically  !
 ! R81   R(45,79)                1.0861         calculate D2E/DX2 analytically  !
 ! R82   R(46,47)                1.3916         calculate D2E/DX2 analytically  !
 ! R83   R(46,80)                1.0861         calculate D2E/DX2 analytically  !
 ! R84   R(47,48)                1.4044         calculate D2E/DX2 analytically  !
 ! R85   R(47,81)                1.0854         calculate D2E/DX2 analytically  !
 ! R86   R(48,49)                1.3935         calculate D2E/DX2 analytically  !
 ! R87   R(48,82)                1.0858         calculate D2E/DX2 analytically  !
 ! R88   R(49,83)                1.0841         calculate D2E/DX2 analytically  !
 ! R89   R(50,51)                1.3936         calculate D2E/DX2 analytically  !
 ! R90   R(50,84)                1.0841         calculate D2E/DX2 analytically  !
 ! R91   R(51,52)                1.4045         calculate D2E/DX2 analytically  !
 ! R92   R(51,85)                1.0859         calculate D2E/DX2 analytically  !
 ! R93   R(52,53)                1.3917         calculate D2E/DX2 analytically  !
 ! R94   R(52,86)                1.0855         calculate D2E/DX2 analytically  !
 ! R95   R(53,87)                1.0861         calculate D2E/DX2 analytically  !
 ! R96   R(54,55)                1.3918         calculate D2E/DX2 analytically  !
 ! R97   R(54,88)                1.086          calculate D2E/DX2 analytically  !
 ! R98   R(55,56)                1.404          calculate D2E/DX2 analytically  !
 ! R99   R(55,89)                1.0854         calculate D2E/DX2 analytically  !
 ! R100  R(56,57)                1.3938         calculate D2E/DX2 analytically  !
 ! R101  R(56,90)                1.0857         calculate D2E/DX2 analytically  !
 ! R102  R(57,91)                1.084          calculate D2E/DX2 analytically  !
 ! R103  R(58,59)                1.3937         calculate D2E/DX2 analytically  !
 ! R104  R(58,92)                1.0838         calculate D2E/DX2 analytically  !
 ! R105  R(59,60)                1.4041         calculate D2E/DX2 analytically  !
 ! R106  R(59,93)                1.0858         calculate D2E/DX2 analytically  !
 ! R107  R(60,61)                1.3917         calculate D2E/DX2 analytically  !
 ! R108  R(60,94)                1.0854         calculate D2E/DX2 analytically  !
 ! R109  R(61,95)                1.086          calculate D2E/DX2 analytically  !
 ! R110  R(68,96)                1.812          calculate D2E/DX2 analytically  !
 ! A1    A(2,1,6)              119.6925         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,23)             120.1339         calculate D2E/DX2 analytically  !
 ! A3    A(6,1,23)             120.1735         calculate D2E/DX2 analytically  !
 ! A4    A(1,2,3)              121.5327         calculate D2E/DX2 analytically  !
 ! A5    A(1,2,62)             117.63           calculate D2E/DX2 analytically  !
 ! A6    A(3,2,62)             120.8233         calculate D2E/DX2 analytically  !
 ! A7    A(2,3,4)              118.182          calculate D2E/DX2 analytically  !
 ! A8    A(2,3,7)              122.0999         calculate D2E/DX2 analytically  !
 ! A9    A(4,3,7)              119.7084         calculate D2E/DX2 analytically  !
 ! A10   A(3,4,5)              119.8638         calculate D2E/DX2 analytically  !
 ! A11   A(3,4,10)             120.3226         calculate D2E/DX2 analytically  !
 ! A12   A(5,4,10)             119.8136         calculate D2E/DX2 analytically  !
 ! A13   A(4,5,6)              121.1276         calculate D2E/DX2 analytically  !
 ! A14   A(4,5,63)             118.2101         calculate D2E/DX2 analytically  !
 ! A15   A(6,5,63)             120.6547         calculate D2E/DX2 analytically  !
 ! A16   A(1,6,5)              119.5852         calculate D2E/DX2 analytically  !
 ! A17   A(1,6,64)             119.721          calculate D2E/DX2 analytically  !
 ! A18   A(5,6,64)             120.6856         calculate D2E/DX2 analytically  !
 ! A19   A(3,7,8)              120.6731         calculate D2E/DX2 analytically  !
 ! A20   A(3,7,11)             120.9659         calculate D2E/DX2 analytically  !
 ! A21   A(8,7,11)             118.3561         calculate D2E/DX2 analytically  !
 ! A22   A(7,8,9)              119.2106         calculate D2E/DX2 analytically  !
 ! A23   A(7,8,14)             119.1265         calculate D2E/DX2 analytically  !
 ! A24   A(9,8,14)             121.6627         calculate D2E/DX2 analytically  !
 ! A25   A(8,9,10)             120.527          calculate D2E/DX2 analytically  !
 ! A26   A(8,9,15)             122.4053         calculate D2E/DX2 analytically  !
 ! A27   A(10,9,15)            117.0674         calculate D2E/DX2 analytically  !
 ! A28   A(4,10,9)             119.5551         calculate D2E/DX2 analytically  !
 ! A29   A(4,10,18)            118.2437         calculate D2E/DX2 analytically  !
 ! A30   A(9,10,18)            122.2012         calculate D2E/DX2 analytically  !
 ! A31   A(7,11,12)            121.8949         calculate D2E/DX2 analytically  !
 ! A32   A(7,11,65)            120.3993         calculate D2E/DX2 analytically  !
 ! A33   A(12,11,65)           117.6831         calculate D2E/DX2 analytically  !
 ! A34   A(11,12,13)           119.2963         calculate D2E/DX2 analytically  !
 ! A35   A(11,12,24)           120.1579         calculate D2E/DX2 analytically  !
 ! A36   A(13,12,24)           120.5458         calculate D2E/DX2 analytically  !
 ! A37   A(12,13,14)           120.0669         calculate D2E/DX2 analytically  !
 ! A38   A(12,13,66)           120.1531         calculate D2E/DX2 analytically  !
 ! A39   A(14,13,66)           119.7662         calculate D2E/DX2 analytically  !
 ! A40   A(8,14,13)            121.2416         calculate D2E/DX2 analytically  !
 ! A41   A(8,14,67)            120.6727         calculate D2E/DX2 analytically  !
 ! A42   A(13,14,67)           118.0803         calculate D2E/DX2 analytically  !
 ! A43   A(9,15,16)            122.297          calculate D2E/DX2 analytically  !
 ! A44   A(9,15,68)            124.1275         calculate D2E/DX2 analytically  !
 ! A45   A(9,15,96)            130.2859         calculate D2E/DX2 analytically  !
 ! A46   A(16,15,68)           113.5691         calculate D2E/DX2 analytically  !
 ! A47   A(16,15,96)           107.4039         calculate D2E/DX2 analytically  !
 ! A48   A(15,16,17)           118.1769         calculate D2E/DX2 analytically  !
 ! A49   A(15,16,19)           121.5717         calculate D2E/DX2 analytically  !
 ! A50   A(17,16,19)           120.251          calculate D2E/DX2 analytically  !
 ! A51   A(16,17,18)           120.8318         calculate D2E/DX2 analytically  !
 ! A52   A(16,17,22)           119.4513         calculate D2E/DX2 analytically  !
 ! A53   A(18,17,22)           119.7101         calculate D2E/DX2 analytically  !
 ! A54   A(10,18,17)           119.4244         calculate D2E/DX2 analytically  !
 ! A55   A(16,19,20)           118.8542         calculate D2E/DX2 analytically  !
 ! A56   A(16,19,69)           118.798          calculate D2E/DX2 analytically  !
 ! A57   A(20,19,69)           122.3358         calculate D2E/DX2 analytically  !
 ! A58   A(19,20,21)           121.692          calculate D2E/DX2 analytically  !
 ! A59   A(19,20,70)           119.6336         calculate D2E/DX2 analytically  !
 ! A60   A(21,20,70)           118.6607         calculate D2E/DX2 analytically  !
 ! A61   A(20,21,22)           119.7565         calculate D2E/DX2 analytically  !
 ! A62   A(20,21,25)           119.2567         calculate D2E/DX2 analytically  !
 ! A63   A(22,21,25)           120.9776         calculate D2E/DX2 analytically  !
 ! A64   A(17,22,21)           119.9813         calculate D2E/DX2 analytically  !
 ! A65   A(17,22,71)           118.2394         calculate D2E/DX2 analytically  !
 ! A66   A(21,22,71)           121.7707         calculate D2E/DX2 analytically  !
 ! A67   A(1,23,30)            125.7132         calculate D2E/DX2 analytically  !
 ! A68   A(1,23,33)            125.9784         calculate D2E/DX2 analytically  !
 ! A69   A(30,23,33)           108.3077         calculate D2E/DX2 analytically  !
 ! A70   A(12,24,26)           125.7156         calculate D2E/DX2 analytically  !
 ! A71   A(12,24,29)           126.0361         calculate D2E/DX2 analytically  !
 ! A72   A(26,24,29)           108.2461         calculate D2E/DX2 analytically  !
 ! A73   A(21,25,34)           126.0516         calculate D2E/DX2 analytically  !
 ! A74   A(21,25,37)           125.657          calculate D2E/DX2 analytically  !
 ! A75   A(34,25,37)           108.2907         calculate D2E/DX2 analytically  !
 ! A76   A(24,26,27)           108.7942         calculate D2E/DX2 analytically  !
 ! A77   A(24,26,42)           129.6552         calculate D2E/DX2 analytically  !
 ! A78   A(27,26,42)           121.4883         calculate D2E/DX2 analytically  !
 ! A79   A(26,27,28)           107.0806         calculate D2E/DX2 analytically  !
 ! A80   A(26,27,45)           119.6752         calculate D2E/DX2 analytically  !
 ! A81   A(28,27,45)           133.2375         calculate D2E/DX2 analytically  !
 ! A82   A(27,28,29)           107.07           calculate D2E/DX2 analytically  !
 ! A83   A(27,28,38)           133.2533         calculate D2E/DX2 analytically  !
 ! A84   A(29,28,38)           119.668          calculate D2E/DX2 analytically  !
 ! A85   A(24,29,28)           108.8082         calculate D2E/DX2 analytically  !
 ! A86   A(24,29,41)           129.7103         calculate D2E/DX2 analytically  !
 ! A87   A(28,29,41)           121.4126         calculate D2E/DX2 analytically  !
 ! A88   A(23,30,31)           108.852          calculate D2E/DX2 analytically  !
 ! A89   A(23,30,50)           129.5753         calculate D2E/DX2 analytically  !
 ! A90   A(31,30,50)           121.5247         calculate D2E/DX2 analytically  !
 ! A91   A(30,31,32)           107.0008         calculate D2E/DX2 analytically  !
 ! A92   A(30,31,53)           119.5928         calculate D2E/DX2 analytically  !
 ! A93   A(32,31,53)           133.4005         calculate D2E/DX2 analytically  !
 ! A94   A(31,32,33)           107.0148         calculate D2E/DX2 analytically  !
 ! A95   A(31,32,46)           133.3769         calculate D2E/DX2 analytically  !
 ! A96   A(33,32,46)           119.6028         calculate D2E/DX2 analytically  !
 ! A97   A(23,33,32)           108.8241         calculate D2E/DX2 analytically  !
 ! A98   A(23,33,49)           129.6279         calculate D2E/DX2 analytically  !
 ! A99   A(32,33,49)           121.5018         calculate D2E/DX2 analytically  !
 ! A100  A(25,34,35)           108.7564         calculate D2E/DX2 analytically  !
 ! A101  A(25,34,58)           129.6947         calculate D2E/DX2 analytically  !
 ! A102  A(35,34,58)           121.4927         calculate D2E/DX2 analytically  !
 ! A103  A(34,35,36)           107.0894         calculate D2E/DX2 analytically  !
 ! A104  A(34,35,61)           119.639          calculate D2E/DX2 analytically  !
 ! A105  A(36,35,61)           133.2657         calculate D2E/DX2 analytically  !
 ! A106  A(35,36,37)           107.0483         calculate D2E/DX2 analytically  !
 ! A107  A(35,36,54)           133.3209         calculate D2E/DX2 analytically  !
 ! A108  A(37,36,54)           119.6229         calculate D2E/DX2 analytically  !
 ! A109  A(25,37,36)           108.8132         calculate D2E/DX2 analytically  !
 ! A110  A(25,37,57)           129.5993         calculate D2E/DX2 analytically  !
 ! A111  A(36,37,57)           121.5289         calculate D2E/DX2 analytically  !
 ! A112  A(28,38,39)           119.151          calculate D2E/DX2 analytically  !
 ! A113  A(28,38,72)           120.3143         calculate D2E/DX2 analytically  !
 ! A114  A(39,38,72)           120.5331         calculate D2E/DX2 analytically  !
 ! A115  A(38,39,40)           120.5125         calculate D2E/DX2 analytically  !
 ! A116  A(38,39,73)           119.8716         calculate D2E/DX2 analytically  !
 ! A117  A(40,39,73)           119.6138         calculate D2E/DX2 analytically  !
 ! A118  A(39,40,41)           121.4321         calculate D2E/DX2 analytically  !
 ! A119  A(39,40,74)           119.544          calculate D2E/DX2 analytically  !
 ! A120  A(41,40,74)           119.0234         calculate D2E/DX2 analytically  !
 ! A121  A(29,41,40)           117.8012         calculate D2E/DX2 analytically  !
 ! A122  A(29,41,75)           121.604          calculate D2E/DX2 analytically  !
 ! A123  A(40,41,75)           120.589          calculate D2E/DX2 analytically  !
 ! A124  A(26,42,43)           117.7095         calculate D2E/DX2 analytically  !
 ! A125  A(26,42,76)           121.7362         calculate D2E/DX2 analytically  !
 ! A126  A(43,42,76)           120.5533         calculate D2E/DX2 analytically  !
 ! A127  A(42,43,44)           121.4788         calculate D2E/DX2 analytically  !
 ! A128  A(42,43,77)           118.9642         calculate D2E/DX2 analytically  !
 ! A129  A(44,43,77)           119.5569         calculate D2E/DX2 analytically  !
 ! A130  A(43,44,45)           120.5293         calculate D2E/DX2 analytically  !
 ! A131  A(43,44,78)           119.6038         calculate D2E/DX2 analytically  !
 ! A132  A(45,44,78)           119.8658         calculate D2E/DX2 analytically  !
 ! A133  A(27,45,44)           119.0994         calculate D2E/DX2 analytically  !
 ! A134  A(27,45,79)           120.3385         calculate D2E/DX2 analytically  !
 ! A135  A(44,45,79)           120.5612         calculate D2E/DX2 analytically  !
 ! A136  A(32,46,47)           119.1465         calculate D2E/DX2 analytically  !
 ! A137  A(32,46,80)           120.3294         calculate D2E/DX2 analytically  !
 ! A138  A(47,46,80)           120.5232         calculate D2E/DX2 analytically  !
 ! A139  A(46,47,48)           120.5413         calculate D2E/DX2 analytically  !
 ! A140  A(46,47,81)           119.8654         calculate D2E/DX2 analytically  !
 ! A141  A(48,47,81)           119.5923         calculate D2E/DX2 analytically  !
 ! A142  A(47,48,49)           121.4421         calculate D2E/DX2 analytically  !
 ! A143  A(47,48,82)           119.5194         calculate D2E/DX2 analytically  !
 ! A144  A(49,48,82)           119.0383         calculate D2E/DX2 analytically  !
 ! A145  A(33,49,48)           117.7507         calculate D2E/DX2 analytically  !
 ! A146  A(33,49,83)           121.5374         calculate D2E/DX2 analytically  !
 ! A147  A(48,49,83)           120.7091         calculate D2E/DX2 analytically  !
 ! A148  A(30,50,51)           117.7323         calculate D2E/DX2 analytically  !
 ! A149  A(30,50,84)           121.5352         calculate D2E/DX2 analytically  !
 ! A150  A(51,50,84)           120.7301         calculate D2E/DX2 analytically  !
 ! A151  A(50,51,52)           121.4432         calculate D2E/DX2 analytically  !
 ! A152  A(50,51,85)           119.0462         calculate D2E/DX2 analytically  !
 ! A153  A(52,51,85)           119.5101         calculate D2E/DX2 analytically  !
 ! A154  A(51,52,53)           120.5471         calculate D2E/DX2 analytically  !
 ! A155  A(51,52,86)           119.595          calculate D2E/DX2 analytically  !
 ! A156  A(53,52,86)           119.8566         calculate D2E/DX2 analytically  !
 ! A157  A(31,53,52)           119.1441         calculate D2E/DX2 analytically  !
 ! A158  A(31,53,87)           120.3345         calculate D2E/DX2 analytically  !
 ! A159  A(52,53,87)           120.5204         calculate D2E/DX2 analytically  !
 ! A160  A(36,54,55)           119.1178         calculate D2E/DX2 analytically  !
 ! A161  A(36,54,88)           120.3452         calculate D2E/DX2 analytically  !
 ! A162  A(55,54,88)           120.5358         calculate D2E/DX2 analytically  !
 ! A163  A(54,55,56)           120.5563         calculate D2E/DX2 analytically  !
 ! A164  A(54,55,89)           119.8526         calculate D2E/DX2 analytically  !
 ! A165  A(56,55,89)           119.5889         calculate D2E/DX2 analytically  !
 ! A166  A(55,56,57)           121.4388         calculate D2E/DX2 analytically  !
 ! A167  A(55,56,90)           119.5519         calculate D2E/DX2 analytically  !
 ! A168  A(57,56,90)           119.0083         calculate D2E/DX2 analytically  !
 ! A169  A(37,57,56)           117.7106         calculate D2E/DX2 analytically  !
 ! A170  A(37,57,91)           121.7419         calculate D2E/DX2 analytically  !
 ! A171  A(56,57,91)           120.544          calculate D2E/DX2 analytically  !
 ! A172  A(34,58,59)           117.7451         calculate D2E/DX2 analytically  !
 ! A173  A(34,58,92)           121.6025         calculate D2E/DX2 analytically  !
 ! A174  A(59,58,92)           120.6499         calculate D2E/DX2 analytically  !
 ! A175  A(58,59,60)           121.454          calculate D2E/DX2 analytically  !
 ! A176  A(58,59,93)           119.0163         calculate D2E/DX2 analytically  !
 ! A177  A(60,59,93)           119.5295         calculate D2E/DX2 analytically  !
 ! A178  A(59,60,61)           120.5238         calculate D2E/DX2 analytically  !
 ! A179  A(59,60,94)           119.6114         calculate D2E/DX2 analytically  !
 ! A180  A(61,60,94)           119.8636         calculate D2E/DX2 analytically  !
 ! A181  A(35,61,60)           119.1317         calculate D2E/DX2 analytically  !
 ! A182  A(35,61,95)           120.3263         calculate D2E/DX2 analytically  !
 ! A183  A(60,61,95)           120.5408         calculate D2E/DX2 analytically  !
 ! D1    D(6,1,2,3)              0.7349         calculate D2E/DX2 analytically  !
 ! D2    D(6,1,2,62)          -177.9134         calculate D2E/DX2 analytically  !
 ! D3    D(23,1,2,3)          -179.193          calculate D2E/DX2 analytically  !
 ! D4    D(23,1,2,62)            2.1587         calculate D2E/DX2 analytically  !
 ! D5    D(2,1,6,5)              0.4304         calculate D2E/DX2 analytically  !
 ! D6    D(2,1,6,64)          -178.5334         calculate D2E/DX2 analytically  !
 ! D7    D(23,1,6,5)          -179.6417         calculate D2E/DX2 analytically  !
 ! D8    D(23,1,6,64)            1.3945         calculate D2E/DX2 analytically  !
 ! D9    D(2,1,23,30)         -129.7467         calculate D2E/DX2 analytically  !
 ! D10   D(2,1,23,33)           50.5746         calculate D2E/DX2 analytically  !
 ! D11   D(6,1,23,30)           50.3257         calculate D2E/DX2 analytically  !
 ! D12   D(6,1,23,33)         -129.3529         calculate D2E/DX2 analytically  !
 ! D13   D(1,2,3,4)             -1.4104         calculate D2E/DX2 analytically  !
 ! D14   D(1,2,3,7)            179.7221         calculate D2E/DX2 analytically  !
 ! D15   D(62,2,3,4)           177.195          calculate D2E/DX2 analytically  !
 ! D16   D(62,2,3,7)            -1.6725         calculate D2E/DX2 analytically  !
 ! D17   D(2,3,4,5)              0.946          calculate D2E/DX2 analytically  !
 ! D18   D(2,3,4,10)          -179.0508         calculate D2E/DX2 analytically  !
 ! D19   D(7,3,4,5)            179.8414         calculate D2E/DX2 analytically  !
 ! D20   D(7,3,4,10)            -0.1554         calculate D2E/DX2 analytically  !
 ! D21   D(2,3,7,8)            178.5754         calculate D2E/DX2 analytically  !
 ! D22   D(2,3,7,11)            -2.2507         calculate D2E/DX2 analytically  !
 ! D23   D(4,3,7,8)             -0.2753         calculate D2E/DX2 analytically  !
 ! D24   D(4,3,7,11)           178.8986         calculate D2E/DX2 analytically  !
 ! D25   D(3,4,5,6)              0.1852         calculate D2E/DX2 analytically  !
 ! D26   D(3,4,5,63)           179.1873         calculate D2E/DX2 analytically  !
 ! D27   D(10,4,5,6)          -179.8179         calculate D2E/DX2 analytically  !
 ! D28   D(10,4,5,63)           -0.8158         calculate D2E/DX2 analytically  !
 ! D29   D(3,4,10,9)             0.2089         calculate D2E/DX2 analytically  !
 ! D30   D(3,4,10,18)         -179.7533         calculate D2E/DX2 analytically  !
 ! D31   D(5,4,10,9)          -179.7879         calculate D2E/DX2 analytically  !
 ! D32   D(5,4,10,18)            0.2498         calculate D2E/DX2 analytically  !
 ! D33   D(4,5,6,1)             -0.8844         calculate D2E/DX2 analytically  !
 ! D34   D(4,5,6,64)           178.0692         calculate D2E/DX2 analytically  !
 ! D35   D(63,5,6,1)          -179.8622         calculate D2E/DX2 analytically  !
 ! D36   D(63,5,6,64)           -0.9086         calculate D2E/DX2 analytically  !
 ! D37   D(3,7,8,9)              0.6401         calculate D2E/DX2 analytically  !
 ! D38   D(3,7,8,14)          -179.4977         calculate D2E/DX2 analytically  !
 ! D39   D(11,7,8,9)          -178.5549         calculate D2E/DX2 analytically  !
 ! D40   D(11,7,8,14)            1.3072         calculate D2E/DX2 analytically  !
 ! D41   D(3,7,11,12)          179.41           calculate D2E/DX2 analytically  !
 ! D42   D(3,7,11,65)           -2.3639         calculate D2E/DX2 analytically  !
 ! D43   D(8,7,11,12)           -1.3973         calculate D2E/DX2 analytically  !
 ! D44   D(8,7,11,65)          176.8287         calculate D2E/DX2 analytically  !
 ! D45   D(7,8,9,10)            -0.5847         calculate D2E/DX2 analytically  !
 ! D46   D(7,8,9,15)           179.2294         calculate D2E/DX2 analytically  !
 ! D47   D(14,8,9,10)          179.5568         calculate D2E/DX2 analytically  !
 ! D48   D(14,8,9,15)           -0.6291         calculate D2E/DX2 analytically  !
 ! D49   D(7,8,14,13)           -0.2745         calculate D2E/DX2 analytically  !
 ! D50   D(7,8,14,67)          178.8728         calculate D2E/DX2 analytically  !
 ! D51   D(9,8,14,13)          179.5841         calculate D2E/DX2 analytically  !
 ! D52   D(9,8,14,67)           -1.2685         calculate D2E/DX2 analytically  !
 ! D53   D(8,9,10,4)             0.1633         calculate D2E/DX2 analytically  !
 ! D54   D(8,9,10,18)         -179.876          calculate D2E/DX2 analytically  !
 ! D55   D(15,9,10,4)         -179.6605         calculate D2E/DX2 analytically  !
 ! D56   D(15,9,10,18)           0.3002         calculate D2E/DX2 analytically  !
 ! D57   D(8,9,15,16)          179.7376         calculate D2E/DX2 analytically  !
 ! D58   D(8,9,15,68)           -1.2335         calculate D2E/DX2 analytically  !
 ! D59   D(8,9,15,96)           -1.7558         calculate D2E/DX2 analytically  !
 ! D60   D(10,9,15,16)          -0.4422         calculate D2E/DX2 analytically  !
 ! D61   D(10,9,15,68)         178.5867         calculate D2E/DX2 analytically  !
 ! D62   D(10,9,15,96)         178.0644         calculate D2E/DX2 analytically  !
 ! D63   D(4,10,18,17)         179.9009         calculate D2E/DX2 analytically  !
 ! D64   D(9,10,18,17)          -0.0603         calculate D2E/DX2 analytically  !
 ! D65   D(7,11,12,13)           0.4227         calculate D2E/DX2 analytically  !
 ! D66   D(7,11,12,24)        -179.6256         calculate D2E/DX2 analytically  !
 ! D67   D(65,11,12,13)       -177.8495         calculate D2E/DX2 analytically  !
 ! D68   D(65,11,12,24)          2.1022         calculate D2E/DX2 analytically  !
 ! D69   D(11,12,13,14)          0.6572         calculate D2E/DX2 analytically  !
 ! D70   D(11,12,13,66)       -177.9913         calculate D2E/DX2 analytically  !
 ! D71   D(24,12,13,14)       -179.2943         calculate D2E/DX2 analytically  !
 ! D72   D(24,12,13,66)          2.0572         calculate D2E/DX2 analytically  !
 ! D73   D(11,12,24,26)       -132.4397         calculate D2E/DX2 analytically  !
 ! D74   D(11,12,24,29)         46.9693         calculate D2E/DX2 analytically  !
 ! D75   D(13,12,24,26)         47.5114         calculate D2E/DX2 analytically  !
 ! D76   D(13,12,24,29)       -133.0796         calculate D2E/DX2 analytically  !
 ! D77   D(12,13,14,8)          -0.7223         calculate D2E/DX2 analytically  !
 ! D78   D(12,13,14,67)       -179.8911         calculate D2E/DX2 analytically  !
 ! D79   D(66,13,14,8)         177.9314         calculate D2E/DX2 analytically  !
 ! D80   D(66,13,14,67)         -1.2374         calculate D2E/DX2 analytically  !
 ! D81   D(9,15,16,17)           0.3468         calculate D2E/DX2 analytically  !
 ! D82   D(9,15,16,19)        -179.8785         calculate D2E/DX2 analytically  !
 ! D83   D(68,15,16,17)       -178.7762         calculate D2E/DX2 analytically  !
 ! D84   D(68,15,16,19)          0.9986         calculate D2E/DX2 analytically  !
 ! D85   D(96,15,16,17)       -178.4594         calculate D2E/DX2 analytically  !
 ! D86   D(96,15,16,19)          1.3154         calculate D2E/DX2 analytically  !
 ! D87   D(15,16,17,18)         -0.088          calculate D2E/DX2 analytically  !
 ! D88   D(15,16,17,22)       -179.1317         calculate D2E/DX2 analytically  !
 ! D89   D(19,16,17,18)       -179.8659         calculate D2E/DX2 analytically  !
 ! D90   D(19,16,17,22)          1.0904         calculate D2E/DX2 analytically  !
 ! D91   D(15,16,19,20)       -179.918          calculate D2E/DX2 analytically  !
 ! D92   D(15,16,19,69)         -1.1454         calculate D2E/DX2 analytically  !
 ! D93   D(17,16,19,20)         -0.1479         calculate D2E/DX2 analytically  !
 ! D94   D(17,16,19,69)        178.6248         calculate D2E/DX2 analytically  !
 ! D95   D(16,17,18,10)         -0.0461         calculate D2E/DX2 analytically  !
 ! D96   D(22,17,18,10)        178.9952         calculate D2E/DX2 analytically  !
 ! D97   D(16,17,22,21)         -1.1056         calculate D2E/DX2 analytically  !
 ! D98   D(16,17,22,71)        177.8461         calculate D2E/DX2 analytically  !
 ! D99   D(18,17,22,21)        179.8398         calculate D2E/DX2 analytically  !
 ! D100  D(18,17,22,71)         -1.2084         calculate D2E/DX2 analytically  !
 ! D101  D(16,19,20,21)         -0.7868         calculate D2E/DX2 analytically  !
 ! D102  D(16,19,20,70)        177.8482         calculate D2E/DX2 analytically  !
 ! D103  D(69,19,20,21)       -179.5138         calculate D2E/DX2 analytically  !
 ! D104  D(69,19,20,70)         -0.8789         calculate D2E/DX2 analytically  !
 ! D105  D(19,20,21,22)          0.7755         calculate D2E/DX2 analytically  !
 ! D106  D(19,20,21,25)        179.6866         calculate D2E/DX2 analytically  !
 ! D107  D(70,20,21,22)       -177.8723         calculate D2E/DX2 analytically  !
 ! D108  D(70,20,21,25)          1.0388         calculate D2E/DX2 analytically  !
 ! D109  D(20,21,22,17)          0.1981         calculate D2E/DX2 analytically  !
 ! D110  D(20,21,22,71)       -178.7156         calculate D2E/DX2 analytically  !
 ! D111  D(25,21,22,17)       -178.6938         calculate D2E/DX2 analytically  !
 ! D112  D(25,21,22,71)          2.3924         calculate D2E/DX2 analytically  !
 ! D113  D(20,21,25,34)       -130.8747         calculate D2E/DX2 analytically  !
 ! D114  D(20,21,25,37)         48.8072         calculate D2E/DX2 analytically  !
 ! D115  D(22,21,25,34)         48.0228         calculate D2E/DX2 analytically  !
 ! D116  D(22,21,25,37)       -132.2954         calculate D2E/DX2 analytically  !
 ! D117  D(1,23,30,31)        -179.7804         calculate D2E/DX2 analytically  !
 ! D118  D(1,23,30,50)           2.7547         calculate D2E/DX2 analytically  !
 ! D119  D(33,23,30,31)         -0.0543         calculate D2E/DX2 analytically  !
 ! D120  D(33,23,30,50)       -177.5192         calculate D2E/DX2 analytically  !
 ! D121  D(1,23,33,32)         179.6436         calculate D2E/DX2 analytically  !
 ! D122  D(1,23,33,49)           2.1324         calculate D2E/DX2 analytically  !
 ! D123  D(30,23,33,32)         -0.0816         calculate D2E/DX2 analytically  !
 ! D124  D(30,23,33,49)       -177.5928         calculate D2E/DX2 analytically  !
 ! D125  D(12,24,26,27)        179.3229         calculate D2E/DX2 analytically  !
 ! D126  D(12,24,26,42)          2.2107         calculate D2E/DX2 analytically  !
 ! D127  D(29,24,26,27)         -0.1739         calculate D2E/DX2 analytically  !
 ! D128  D(29,24,26,42)       -177.286          calculate D2E/DX2 analytically  !
 ! D129  D(12,24,29,28)       -179.5044         calculate D2E/DX2 analytically  !
 ! D130  D(12,24,29,41)          3.5374         calculate D2E/DX2 analytically  !
 ! D131  D(26,24,29,28)         -0.0097         calculate D2E/DX2 analytically  !
 ! D132  D(26,24,29,41)       -176.9679         calculate D2E/DX2 analytically  !
 ! D133  D(21,25,34,35)        179.2752         calculate D2E/DX2 analytically  !
 ! D134  D(21,25,34,58)          2.0193         calculate D2E/DX2 analytically  !
 ! D135  D(37,25,34,35)         -0.4525         calculate D2E/DX2 analytically  !
 ! D136  D(37,25,34,58)       -177.7085         calculate D2E/DX2 analytically  !
 ! D137  D(21,25,37,36)       -179.4369         calculate D2E/DX2 analytically  !
 ! D138  D(21,25,37,57)          3.3658         calculate D2E/DX2 analytically  !
 ! D139  D(34,25,37,36)          0.2922         calculate D2E/DX2 analytically  !
 ! D140  D(34,25,37,57)       -176.9051         calculate D2E/DX2 analytically  !
 ! D141  D(24,26,27,28)          0.2843         calculate D2E/DX2 analytically  !
 ! D142  D(24,26,27,45)       -178.8962         calculate D2E/DX2 analytically  !
 ! D143  D(42,26,27,28)        177.6772         calculate D2E/DX2 analytically  !
 ! D144  D(42,26,27,45)         -1.5033         calculate D2E/DX2 analytically  !
 ! D145  D(24,26,42,43)        178.3202         calculate D2E/DX2 analytically  !
 ! D146  D(24,26,42,76)         -1.3117         calculate D2E/DX2 analytically  !
 ! D147  D(27,26,42,43)          1.5265         calculate D2E/DX2 analytically  !
 ! D148  D(27,26,42,76)       -178.1054         calculate D2E/DX2 analytically  !
 ! D149  D(26,27,28,29)         -0.2861         calculate D2E/DX2 analytically  !
 ! D150  D(26,27,28,38)        178.5959         calculate D2E/DX2 analytically  !
 ! D151  D(45,27,28,29)        178.7365         calculate D2E/DX2 analytically  !
 ! D152  D(45,27,28,38)         -2.3815         calculate D2E/DX2 analytically  !
 ! D153  D(26,27,45,44)          0.4129         calculate D2E/DX2 analytically  !
 ! D154  D(26,27,45,79)       -179.9372         calculate D2E/DX2 analytically  !
 ! D155  D(28,27,45,44)       -178.5117         calculate D2E/DX2 analytically  !
 ! D156  D(28,27,45,79)          1.1381         calculate D2E/DX2 analytically  !
 ! D157  D(27,28,29,24)          0.1836         calculate D2E/DX2 analytically  !
 ! D158  D(27,28,29,41)        177.442          calculate D2E/DX2 analytically  !
 ! D159  D(38,28,29,24)       -178.8793         calculate D2E/DX2 analytically  !
 ! D160  D(38,28,29,41)         -1.621          calculate D2E/DX2 analytically  !
 ! D161  D(27,28,38,39)       -178.3159         calculate D2E/DX2 analytically  !
 ! D162  D(27,28,38,72)          1.2327         calculate D2E/DX2 analytically  !
 ! D163  D(29,28,38,39)          0.4541         calculate D2E/DX2 analytically  !
 ! D164  D(29,28,38,72)       -179.9973         calculate D2E/DX2 analytically  !
 ! D165  D(24,29,41,40)        178.2208         calculate D2E/DX2 analytically  !
 ! D166  D(24,29,41,75)         -0.908          calculate D2E/DX2 analytically  !
 ! D167  D(28,29,41,40)          1.595          calculate D2E/DX2 analytically  !
 ! D168  D(28,29,41,75)       -177.5338         calculate D2E/DX2 analytically  !
 ! D169  D(23,30,31,32)          0.1648         calculate D2E/DX2 analytically  !
 ! D170  D(23,30,31,53)       -179.0662         calculate D2E/DX2 analytically  !
 ! D171  D(50,30,31,32)        177.8726         calculate D2E/DX2 analytically  !
 ! D172  D(50,30,31,53)         -1.3583         calculate D2E/DX2 analytically  !
 ! D173  D(23,30,50,51)        178.5388         calculate D2E/DX2 analytically  !
 ! D174  D(23,30,50,84)         -0.9028         calculate D2E/DX2 analytically  !
 ! D175  D(31,30,50,51)          1.3534         calculate D2E/DX2 analytically  !
 ! D176  D(31,30,50,84)       -178.0881         calculate D2E/DX2 analytically  !
 ! D177  D(30,31,32,33)         -0.2114         calculate D2E/DX2 analytically  !
 ! D178  D(30,31,32,46)        178.8994         calculate D2E/DX2 analytically  !
 ! D179  D(53,31,32,33)        178.8681         calculate D2E/DX2 analytically  !
 ! D180  D(53,31,32,46)         -2.0211         calculate D2E/DX2 analytically  !
 ! D181  D(30,31,53,52)          0.3873         calculate D2E/DX2 analytically  !
 ! D182  D(30,31,53,87)       -179.9773         calculate D2E/DX2 analytically  !
 ! D183  D(32,31,53,52)       -178.6005         calculate D2E/DX2 analytically  !
 ! D184  D(32,31,53,87)          1.035          calculate D2E/DX2 analytically  !
 ! D185  D(31,32,33,23)          0.1815         calculate D2E/DX2 analytically  !
 ! D186  D(31,32,33,49)        177.9334         calculate D2E/DX2 analytically  !
 ! D187  D(46,32,33,23)       -179.0752         calculate D2E/DX2 analytically  !
 ! D188  D(46,32,33,49)         -1.3232         calculate D2E/DX2 analytically  !
 ! D189  D(31,32,46,47)       -178.6294         calculate D2E/DX2 analytically  !
 ! D190  D(31,32,46,80)          1.0298         calculate D2E/DX2 analytically  !
 ! D191  D(33,32,46,47)          0.3927         calculate D2E/DX2 analytically  !
 ! D192  D(33,32,46,80)       -179.9481         calculate D2E/DX2 analytically  !
 ! D193  D(23,33,49,48)        178.5182         calculate D2E/DX2 analytically  !
 ! D194  D(23,33,49,83)         -0.8827         calculate D2E/DX2 analytically  !
 ! D195  D(32,33,49,48)          1.2812         calculate D2E/DX2 analytically  !
 ! D196  D(32,33,49,83)       -178.1196         calculate D2E/DX2 analytically  !
 ! D197  D(25,34,35,36)          0.4327         calculate D2E/DX2 analytically  !
 ! D198  D(25,34,35,61)       -178.7975         calculate D2E/DX2 analytically  !
 ! D199  D(58,34,35,36)        177.9567         calculate D2E/DX2 analytically  !
 ! D200  D(58,34,35,61)         -1.2735         calculate D2E/DX2 analytically  !
 ! D201  D(25,34,58,59)        178.1278         calculate D2E/DX2 analytically  !
 ! D202  D(25,34,58,92)         -1.3            calculate D2E/DX2 analytically  !
 ! D203  D(35,34,58,59)          1.1752         calculate D2E/DX2 analytically  !
 ! D204  D(35,34,58,92)       -178.2525         calculate D2E/DX2 analytically  !
 ! D205  D(34,35,36,37)         -0.2502         calculate D2E/DX2 analytically  !
 ! D206  D(34,35,36,54)        178.6842         calculate D2E/DX2 analytically  !
 ! D207  D(61,35,36,37)        178.8309         calculate D2E/DX2 analytically  !
 ! D208  D(61,35,36,54)         -2.2347         calculate D2E/DX2 analytically  !
 ! D209  D(34,35,61,60)          0.4046         calculate D2E/DX2 analytically  !
 ! D210  D(34,35,61,95)       -179.9879         calculate D2E/DX2 analytically  !
 ! D211  D(36,35,61,60)       -178.5848         calculate D2E/DX2 analytically  !
 ! D212  D(36,35,61,95)          1.0226         calculate D2E/DX2 analytically  !
 ! D213  D(35,36,37,25)         -0.0237         calculate D2E/DX2 analytically  !
 ! D214  D(35,36,37,57)        177.443          calculate D2E/DX2 analytically  !
 ! D215  D(54,36,37,25)       -179.1319         calculate D2E/DX2 analytically  !
 ! D216  D(54,36,37,57)         -1.6652         calculate D2E/DX2 analytically  !
 ! D217  D(35,36,54,55)       -178.404          calculate D2E/DX2 analytically  !
 ! D218  D(35,36,54,88)          1.199          calculate D2E/DX2 analytically  !
 ! D219  D(37,36,54,55)          0.424          calculate D2E/DX2 analytically  !
 ! D220  D(37,36,54,88)       -179.973          calculate D2E/DX2 analytically  !
 ! D221  D(25,37,57,56)        178.6336         calculate D2E/DX2 analytically  !
 ! D222  D(25,37,57,91)         -0.6959         calculate D2E/DX2 analytically  !
 ! D223  D(36,37,57,56)          1.7463         calculate D2E/DX2 analytically  !
 ! D224  D(36,37,57,91)       -177.5833         calculate D2E/DX2 analytically  !
 ! D225  D(28,38,39,40)          0.666          calculate D2E/DX2 analytically  !
 ! D226  D(28,38,39,73)       -179.8756         calculate D2E/DX2 analytically  !
 ! D227  D(72,38,39,40)       -178.8816         calculate D2E/DX2 analytically  !
 ! D228  D(72,38,39,73)          0.5768         calculate D2E/DX2 analytically  !
 ! D229  D(38,39,40,41)         -0.6778         calculate D2E/DX2 analytically  !
 ! D230  D(38,39,40,74)        179.0379         calculate D2E/DX2 analytically  !
 ! D231  D(73,39,40,41)        179.8624         calculate D2E/DX2 analytically  !
 ! D232  D(73,39,40,74)         -0.4219         calculate D2E/DX2 analytically  !
 ! D233  D(39,40,41,29)         -0.4527         calculate D2E/DX2 analytically  !
 ! D234  D(39,40,41,75)        178.6854         calculate D2E/DX2 analytically  !
 ! D235  D(74,40,41,29)        179.8301         calculate D2E/DX2 analytically  !
 ! D236  D(74,40,41,75)         -1.0318         calculate D2E/DX2 analytically  !
 ! D237  D(26,42,43,44)         -0.5097         calculate D2E/DX2 analytically  !
 ! D238  D(26,42,43,77)        179.6276         calculate D2E/DX2 analytically  !
 ! D239  D(76,42,43,44)        179.1268         calculate D2E/DX2 analytically  !
 ! D240  D(76,42,43,77)         -0.7359         calculate D2E/DX2 analytically  !
 ! D241  D(42,43,44,45)         -0.5426         calculate D2E/DX2 analytically  !
 ! D242  D(42,43,44,78)        179.8394         calculate D2E/DX2 analytically  !
 ! D243  D(77,43,44,45)        179.3193         calculate D2E/DX2 analytically  !
 ! D244  D(77,43,44,78)         -0.2986         calculate D2E/DX2 analytically  !
 ! D245  D(43,44,45,27)          0.5829         calculate D2E/DX2 analytically  !
 ! D246  D(43,44,45,79)       -179.0661         calculate D2E/DX2 analytically  !
 ! D247  D(78,44,45,27)       -179.8001         calculate D2E/DX2 analytically  !
 ! D248  D(78,44,45,79)          0.5509         calculate D2E/DX2 analytically  !
 ! D249  D(32,46,47,48)          0.5192         calculate D2E/DX2 analytically  !
 ! D250  D(32,46,47,81)       -179.8508         calculate D2E/DX2 analytically  !
 ! D251  D(80,46,47,48)       -179.1394         calculate D2E/DX2 analytically  !
 ! D252  D(80,46,47,81)          0.4907         calculate D2E/DX2 analytically  !
 ! D253  D(46,47,48,49)         -0.5504         calculate D2E/DX2 analytically  !
 ! D254  D(46,47,48,82)        179.2802         calculate D2E/DX2 analytically  !
 ! D255  D(81,47,48,49)        179.8185         calculate D2E/DX2 analytically  !
 ! D256  D(81,47,48,82)         -0.3509         calculate D2E/DX2 analytically  !
 ! D257  D(47,48,49,33)         -0.3494         calculate D2E/DX2 analytically  !
 ! D258  D(47,48,49,83)        179.0566         calculate D2E/DX2 analytically  !
 ! D259  D(82,48,49,33)        179.8192         calculate D2E/DX2 analytically  !
 ! D260  D(82,48,49,83)         -0.7748         calculate D2E/DX2 analytically  !
 ! D261  D(30,50,51,52)         -0.4205         calculate D2E/DX2 analytically  !
 ! D262  D(30,50,51,85)        179.8448         calculate D2E/DX2 analytically  !
 ! D263  D(84,50,51,52)        179.0257         calculate D2E/DX2 analytically  !
 ! D264  D(84,50,51,85)         -0.709          calculate D2E/DX2 analytically  !
 ! D265  D(50,51,52,53)         -0.517          calculate D2E/DX2 analytically  !
 ! D266  D(50,51,52,86)        179.9077         calculate D2E/DX2 analytically  !
 ! D267  D(85,51,52,53)        179.2165         calculate D2E/DX2 analytically  !
 ! D268  D(85,51,52,86)         -0.3588         calculate D2E/DX2 analytically  !
 ! D269  D(51,52,53,31)          0.5252         calculate D2E/DX2 analytically  !
 ! D270  D(51,52,53,87)       -179.1095         calculate D2E/DX2 analytically  !
 ! D271  D(86,52,53,31)       -179.9005         calculate D2E/DX2 analytically  !
 ! D272  D(86,52,53,87)          0.4647         calculate D2E/DX2 analytically  !
 ! D273  D(36,54,55,56)          0.6565         calculate D2E/DX2 analytically  !
 ! D274  D(36,54,55,89)       -179.8792         calculate D2E/DX2 analytically  !
 ! D275  D(88,54,55,56)       -178.9457         calculate D2E/DX2 analytically  !
 ! D276  D(88,54,55,89)          0.5186         calculate D2E/DX2 analytically  !
 ! D277  D(54,55,56,57)         -0.5545         calculate D2E/DX2 analytically  !
 ! D278  D(54,55,56,90)        179.087          calculate D2E/DX2 analytically  !
 ! D279  D(89,55,56,57)        179.9797         calculate D2E/DX2 analytically  !
 ! D280  D(89,55,56,90)         -0.3787         calculate D2E/DX2 analytically  !
 ! D281  D(55,56,57,37)         -0.6421         calculate D2E/DX2 analytically  !
 ! D282  D(55,56,57,91)        178.6958         calculate D2E/DX2 analytically  !
 ! D283  D(90,56,57,37)        179.7144         calculate D2E/DX2 analytically  !
 ! D284  D(90,56,57,91)         -0.9476         calculate D2E/DX2 analytically  !
 ! D285  D(34,58,59,60)         -0.2463         calculate D2E/DX2 analytically  !
 ! D286  D(34,58,59,93)        179.8942         calculate D2E/DX2 analytically  !
 ! D287  D(92,58,59,60)        179.1872         calculate D2E/DX2 analytically  !
 ! D288  D(92,58,59,93)         -0.6723         calculate D2E/DX2 analytically  !
 ! D289  D(58,59,60,61)         -0.5951         calculate D2E/DX2 analytically  !
 ! D290  D(58,59,60,94)        179.7895         calculate D2E/DX2 analytically  !
 ! D291  D(93,59,60,61)        179.2637         calculate D2E/DX2 analytically  !
 ! D292  D(93,59,60,94)         -0.3517         calculate D2E/DX2 analytically  !
 ! D293  D(59,60,61,35)          0.5046         calculate D2E/DX2 analytically  !
 ! D294  D(59,60,61,95)       -179.102          calculate D2E/DX2 analytically  !
 ! D295  D(94,60,61,35)       -179.881          calculate D2E/DX2 analytically  !
 ! D296  D(94,60,61,95)          0.5125         calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C56H34ClN5
 Framework group  C1[X(C56H34ClN5)]
 Deg. of freedom   282
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.035022    2.958487    0.093313
      2          6           0       -2.307970    1.594642    0.014369
      3          6           0       -1.276990    0.637540    0.001040
      4          6           0        0.060432    1.095869    0.039696
      5          6           0        0.326603    2.476723    0.110007
      6          6           0       -0.699199    3.400540    0.146108
      7          6           0       -1.551355   -0.806947   -0.076004
      8          6           0       -0.481422   -1.749765   -0.118000
      9          6           0        0.887079   -1.270330   -0.069781
     10          6           0        1.166435    0.144579    0.007001
     11          6           0       -2.867287   -1.291621   -0.092618
     12          6           0       -3.149639   -2.655601   -0.177410
     13          6           0       -2.087869   -3.575529   -0.239454
     14          6           0       -0.782112   -3.128345   -0.202626
     15          7           0        1.943830   -2.102791   -0.089982
     16          6           0        3.229712   -1.649362   -0.049820
     17          6           0        3.445431   -0.241052    0.023357
     18          7           0        2.403094    0.618921    0.050234
     19          6           0        4.331151   -2.539684   -0.074438
     20          6           0        5.603109   -2.022216   -0.029806
     21          6           0        5.839065   -0.614557    0.023767
     22          6           0        4.769017    0.259933    0.047703
     23          7           0       -3.094053    3.893319    0.121783
     24          7           0       -4.485542   -3.101694   -0.199290
     25          7           0        7.164748   -0.140011    0.074776
     26          6           0       -5.016394   -4.145010    0.582468
     27          6           0       -6.394448   -4.281280    0.286317
     28          6           0       -6.713987   -3.287857   -0.718610
     29          6           0       -5.520469   -2.576691   -0.994509
     30          6           0       -3.208126    5.028180   -0.697831
     31          6           0       -4.402279    5.714634   -0.365699
     32          6           0       -5.036999    4.968400    0.701345
     33          6           0       -4.208592    3.852273    0.976417
     34          6           0        7.669726    0.810470    0.981035
     35          6           0        9.047573    1.004911    0.716464
     36          6           0        9.391943    0.147588   -0.399641
     37          6           0        8.213012   -0.543185   -0.771771
     38          6           0       -7.887762   -2.964151   -1.407211
     39          6           0       -7.856731   -1.951140   -2.361081
     40          6           0       -6.660547   -1.271227   -2.640143
     41          6           0       -5.477974   -1.575034   -1.967948
     42          6           0       -4.398080   -4.932234    1.557291
     43          6           0       -5.177379   -5.884755    2.211212
     44          6           0       -6.540159   -6.046513    1.914142
     45          6           0       -7.155255   -5.244271    0.957834
     46          6           0       -6.208284    5.159250    1.442689
     47          6           0       -6.532128    4.249349    2.444498
     48          6           0       -5.690350    3.158781    2.717410
     49          6           0       -4.518726    2.945894    1.993634
     50          6           0       -2.375754    5.467781   -1.730564
     51          6           0       -2.743388    6.627138   -2.410813
     52          6           0       -3.913779    7.330022   -2.081233
     53          6           0       -4.748858    6.876142   -1.064695
     54          6           0       10.575870   -0.071857   -1.111689
     55          6           0       10.567666   -0.962113   -2.181495
     56          6           0        9.385000   -1.621973   -2.551950
     57          6           0        8.192030   -1.418920   -1.860412
     58          6           0        7.029499    1.466101    2.035320
     59          6           0        7.787042    2.343025    2.809696
     60          6           0        9.149217    2.561346    2.548558
     61          6           0        9.785539    1.891775    1.507630
     62          1           0       -3.344314    1.293939   -0.059278
     63          1           0        1.360361    2.797426    0.151811
     64          1           0       -0.486710    4.460094    0.231583
     65          1           0       -3.702385   -0.610012   -0.010465
     66          1           0       -2.290977   -4.635341   -0.338309
     67          1           0        0.013811   -3.867604   -0.254524
     68          1           0        1.863560   -3.219597   -0.124813
     69          1           0        4.139519   -3.608281   -0.107577
     70          1           0        6.454438   -2.693140   -0.012595
     71          1           0        4.910286    1.333469    0.067610
     72          1           0       -8.808779   -3.502597   -1.203952
     73          1           0       -8.761199   -1.688988   -2.900894
     74          1           0       -6.650741   -0.494234   -3.398498
     75          1           0       -4.557506   -1.056108   -2.209153
     76          1           0       -3.350940   -4.810606    1.808357
     77          1           0       -4.716128   -6.511777    2.968056
     78          1           0       -7.117930   -6.799844    2.440340
     79          1           0       -8.212755   -5.358736    0.738432
     80          1           0       -6.852344    6.010254    1.241204
     81          1           0       -7.439164    4.384806    3.025104
     82          1           0       -5.953133    2.465500    3.510669
     83          1           0       -3.869834    2.108696    2.224395
     84          1           0       -1.477986    4.925611   -2.004945
     85          1           0       -2.110624    6.989346   -3.215485
     86          1           0       -4.170653    8.230701   -2.629893
     87          1           0       -5.661239    7.412052   -0.819823
     88          1           0       11.486854    0.451248   -0.836118
     89          1           0       11.480030   -1.142832   -2.741010
     90          1           0        9.393728   -2.301780   -3.398423
     91          1           0        7.282560   -1.919886   -2.171898
     92          1           0        5.982049    1.297426    2.256609
     93          1           0        7.309692    2.865017    3.633474
     94          1           0        9.709964    3.253602    3.168653
     95          1           0       10.842567    2.049482    1.314525
     96         17           0        2.048256   -5.021791   -0.159072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0463330           0.0189102           0.0145413
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1104 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1104 symmetry adapted basis functions of A   symmetry.
  1104 basis functions,  1998 primitive gaussians,  1104 cartesian basis functions
   211 alpha electrons      211 beta electrons
       nuclear repulsion energy      7845.3137667661 Hartrees.
 NAtoms=   96 NActive=   96 NUniq=   96 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1104 RedAO= T EigKep=  1.50D-04  NBF=  1104
 NBsUse=  1104 1.00D-06 EigRej= -1.00D+00 NBFU=  1104
 Initial guess from the checkpoint file:  "ch.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -2888.58794015     A.U. after    1 cycles
            NFock=  1  Conv=0.49D-08     -V/T= 2.0086
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1104
 NBasis=  1104 NAE=   211 NBE=   211 NFC=     0 NFV=     0
 NROrb=   1104 NOA=   211 NOB=   211 NVA=   893 NVB=   893

 **** Warning!!: The largest alpha MO coefficient is  0.11229013D+02


 **** Warning!!: The smallest alpha delta epsilon is  0.80407070D-01

 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do    97 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=1111111111111111111111111111111111111111111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 CalDSu exits because no D1Ps are significant.
          There are   291 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
    288 vectors produced by pass  0 Test12= 1.88D-13 1.00D-09 XBig12= 2.65D+03 3.37D+01.
 AX will form    96 AO Fock derivatives at one time.
    288 vectors produced by pass  1 Test12= 1.88D-13 1.00D-09 XBig12= 3.60D+02 3.79D+00.
    288 vectors produced by pass  2 Test12= 1.88D-13 1.00D-09 XBig12= 3.36D+00 2.04D-01.
    288 vectors produced by pass  3 Test12= 1.88D-13 1.00D-09 XBig12= 1.50D-02 1.04D-02.
    288 vectors produced by pass  4 Test12= 1.88D-13 1.00D-09 XBig12= 2.98D-05 4.33D-04.
    255 vectors produced by pass  5 Test12= 1.88D-13 1.00D-09 XBig12= 3.60D-08 1.88D-05.
     75 vectors produced by pass  6 Test12= 1.88D-13 1.00D-09 XBig12= 3.99D-11 4.80D-07.
      3 vectors produced by pass  7 Test12= 1.88D-13 1.00D-09 XBig12= 3.91D-14 1.56D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension  1773 with   291 vectors.
 Isotropic polarizability for W=    0.000000      837.95 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.41654 -14.43068 -14.40200 -14.39862 -14.39853
 Alpha  occ. eigenvalues --  -14.37905 -10.29426 -10.27821 -10.27782 -10.27043
 Alpha  occ. eigenvalues --  -10.26884 -10.26367 -10.26330 -10.24148 -10.23943
 Alpha  occ. eigenvalues --  -10.23856 -10.23815 -10.23678 -10.23676 -10.23575
 Alpha  occ. eigenvalues --  -10.23569 -10.23448 -10.23063 -10.23001 -10.22379
 Alpha  occ. eigenvalues --  -10.22184 -10.22116 -10.22005 -10.21941 -10.21875
 Alpha  occ. eigenvalues --  -10.21286 -10.21137 -10.20102 -10.20085 -10.20079
 Alpha  occ. eigenvalues --  -10.20044 -10.19994 -10.19958 -10.19943 -10.19927
 Alpha  occ. eigenvalues --  -10.19904 -10.19902 -10.19885 -10.19862 -10.19832
 Alpha  occ. eigenvalues --  -10.19803 -10.19802 -10.19796 -10.19777 -10.19725
 Alpha  occ. eigenvalues --  -10.19709 -10.19674 -10.19631 -10.19618 -10.19557
 Alpha  occ. eigenvalues --  -10.19400 -10.19297 -10.19254 -10.19191 -10.19142
 Alpha  occ. eigenvalues --  -10.19058 -10.18906  -9.33297  -7.09184  -7.09003
 Alpha  occ. eigenvalues --   -7.08953  -1.03677  -1.00681  -1.00432  -1.00306
 Alpha  occ. eigenvalues --   -0.96493  -0.91499  -0.89064  -0.88610  -0.86671
 Alpha  occ. eigenvalues --   -0.85573  -0.85499  -0.85379  -0.85254  -0.85162
 Alpha  occ. eigenvalues --   -0.82558  -0.80986  -0.80472  -0.79526  -0.78877
 Alpha  occ. eigenvalues --   -0.78211  -0.76962  -0.76650  -0.76309  -0.75958
 Alpha  occ. eigenvalues --   -0.75816  -0.75190  -0.74622  -0.73514  -0.72766
 Alpha  occ. eigenvalues --   -0.72640  -0.72529  -0.72326  -0.71276  -0.69276
 Alpha  occ. eigenvalues --   -0.68757  -0.67061  -0.65922  -0.65799  -0.65059
 Alpha  occ. eigenvalues --   -0.64099  -0.63474  -0.62889  -0.62286  -0.61434
 Alpha  occ. eigenvalues --   -0.61228  -0.60683  -0.60498  -0.60157  -0.58639
 Alpha  occ. eigenvalues --   -0.58508  -0.58252  -0.58122  -0.57693  -0.57348
 Alpha  occ. eigenvalues --   -0.56091  -0.55007  -0.53439  -0.53197  -0.52751
 Alpha  occ. eigenvalues --   -0.52655  -0.52295  -0.51895  -0.51493  -0.51210
 Alpha  occ. eigenvalues --   -0.50549  -0.49858  -0.49515  -0.48779  -0.48628
 Alpha  occ. eigenvalues --   -0.47664  -0.47527  -0.46964  -0.46575  -0.46453
 Alpha  occ. eigenvalues --   -0.46371  -0.46249  -0.46109  -0.45966  -0.45286
 Alpha  occ. eigenvalues --   -0.44930  -0.44860  -0.44726  -0.44635  -0.44515
 Alpha  occ. eigenvalues --   -0.44293  -0.43956  -0.43354  -0.43288  -0.43164
 Alpha  occ. eigenvalues --   -0.43009  -0.42949  -0.42829  -0.42575  -0.42426
 Alpha  occ. eigenvalues --   -0.42313  -0.42205  -0.41981  -0.41006  -0.40478
 Alpha  occ. eigenvalues --   -0.40462  -0.39669  -0.38489  -0.37964  -0.37828
 Alpha  occ. eigenvalues --   -0.37646  -0.37371  -0.37344  -0.37166  -0.37103
 Alpha  occ. eigenvalues --   -0.36846  -0.36772  -0.36267  -0.36154  -0.35937
 Alpha  occ. eigenvalues --   -0.35116  -0.34920  -0.34789  -0.34615  -0.34510
 Alpha  occ. eigenvalues --   -0.34461  -0.34274  -0.33766  -0.33505  -0.31100
 Alpha  occ. eigenvalues --   -0.30808  -0.30185  -0.29410  -0.28897  -0.28755
 Alpha  occ. eigenvalues --   -0.28514  -0.26881  -0.26241  -0.26173  -0.26013
 Alpha  occ. eigenvalues --   -0.25913  -0.25316  -0.23264  -0.22406  -0.22296
 Alpha  occ. eigenvalues --   -0.22093  -0.21948  -0.21668  -0.21400  -0.21060
 Alpha  occ. eigenvalues --   -0.20699
 Alpha virt. eigenvalues --   -0.12658  -0.07768  -0.06306  -0.03804  -0.03712
 Alpha virt. eigenvalues --   -0.03494  -0.03265  -0.02472  -0.01528  -0.00487
 Alpha virt. eigenvalues --   -0.00392  -0.00188   0.00394   0.01695   0.02355
 Alpha virt. eigenvalues --    0.02743   0.03193   0.03273   0.03501   0.06355
 Alpha virt. eigenvalues --    0.07960   0.08780   0.09203   0.09613   0.09668
 Alpha virt. eigenvalues --    0.09751   0.09955   0.10027   0.10686   0.11162
 Alpha virt. eigenvalues --    0.12102   0.12221   0.12440   0.12687   0.13025
 Alpha virt. eigenvalues --    0.13660   0.14236   0.14571   0.14661   0.14899
 Alpha virt. eigenvalues --    0.15082   0.15109   0.15271   0.15312   0.15624
 Alpha virt. eigenvalues --    0.15836   0.16734   0.16977   0.17267   0.17406
 Alpha virt. eigenvalues --    0.17551   0.17645   0.17719   0.18012   0.18218
 Alpha virt. eigenvalues --    0.18636   0.18702   0.18899   0.18968   0.19110
 Alpha virt. eigenvalues --    0.19268   0.19373   0.19526   0.19986   0.20183
 Alpha virt. eigenvalues --    0.20492   0.20754   0.20785   0.21941   0.22352
 Alpha virt. eigenvalues --    0.22890   0.23851   0.24337   0.24360   0.24534
 Alpha virt. eigenvalues --    0.24664   0.25049   0.25190   0.25317   0.25428
 Alpha virt. eigenvalues --    0.25758   0.26265   0.26677   0.26714   0.27207
 Alpha virt. eigenvalues --    0.27725   0.28590   0.28709   0.28988   0.29457
 Alpha virt. eigenvalues --    0.29899   0.30407   0.30912   0.31197   0.31347
 Alpha virt. eigenvalues --    0.31969   0.32559   0.32779   0.33836   0.34297
 Alpha virt. eigenvalues --    0.34543   0.34934   0.34954   0.35710   0.36307
 Alpha virt. eigenvalues --    0.37021   0.37303   0.37783   0.37934   0.38107
 Alpha virt. eigenvalues --    0.38128   0.39307   0.39894   0.40279   0.40944
 Alpha virt. eigenvalues --    0.41290   0.42283   0.43859   0.44045   0.44251
 Alpha virt. eigenvalues --    0.44755   0.44941   0.45222   0.45993   0.46926
 Alpha virt. eigenvalues --    0.47398   0.48432   0.48565   0.48741   0.48914
 Alpha virt. eigenvalues --    0.49441   0.49563   0.50109   0.50249   0.50505
 Alpha virt. eigenvalues --    0.50612   0.50840   0.51186   0.51424   0.51579
 Alpha virt. eigenvalues --    0.51644   0.51987   0.52134   0.52271   0.52332
 Alpha virt. eigenvalues --    0.52620   0.52753   0.52811   0.52908   0.53272
 Alpha virt. eigenvalues --    0.53391   0.53528   0.53625   0.53826   0.54054
 Alpha virt. eigenvalues --    0.54188   0.54566   0.54604   0.54780   0.55134
 Alpha virt. eigenvalues --    0.55369   0.55511   0.55662   0.55830   0.56061
 Alpha virt. eigenvalues --    0.56176   0.56467   0.56635   0.56803   0.56937
 Alpha virt. eigenvalues --    0.56984   0.57148   0.57468   0.57583   0.57760
 Alpha virt. eigenvalues --    0.57852   0.57971   0.58303   0.58455   0.58634
 Alpha virt. eigenvalues --    0.58640   0.58747   0.58960   0.59057   0.59494
 Alpha virt. eigenvalues --    0.59721   0.59785   0.59943   0.60027   0.60331
 Alpha virt. eigenvalues --    0.60480   0.60544   0.60566   0.60636   0.60691
 Alpha virt. eigenvalues --    0.60835   0.60919   0.60938   0.61238   0.61315
 Alpha virt. eigenvalues --    0.61485   0.61543   0.61606   0.61763   0.61993
 Alpha virt. eigenvalues --    0.62388   0.62773   0.62914   0.63035   0.63191
 Alpha virt. eigenvalues --    0.63280   0.63387   0.63507   0.63694   0.63742
 Alpha virt. eigenvalues --    0.63864   0.64072   0.64403   0.64506   0.65253
 Alpha virt. eigenvalues --    0.66418   0.66506   0.67311   0.67715   0.68564
 Alpha virt. eigenvalues --    0.68839   0.68959   0.69725   0.69819   0.70294
 Alpha virt. eigenvalues --    0.70505   0.71236   0.71459   0.73069   0.73282
 Alpha virt. eigenvalues --    0.73465   0.75084   0.76097   0.76267   0.76836
 Alpha virt. eigenvalues --    0.76958   0.77472   0.77711   0.77938   0.78192
 Alpha virt. eigenvalues --    0.78547   0.78614   0.78665   0.78859   0.78961
 Alpha virt. eigenvalues --    0.79875   0.80128   0.80179   0.80447   0.80986
 Alpha virt. eigenvalues --    0.81081   0.81398   0.81508   0.81685   0.81712
 Alpha virt. eigenvalues --    0.81835   0.82018   0.82640   0.82738   0.82874
 Alpha virt. eigenvalues --    0.83010   0.83171   0.83416   0.83448   0.83665
 Alpha virt. eigenvalues --    0.83773   0.84074   0.84337   0.84747   0.84833
 Alpha virt. eigenvalues --    0.85331   0.86053   0.86188   0.86395   0.86814
 Alpha virt. eigenvalues --    0.87185   0.87534   0.87662   0.88016   0.88232
 Alpha virt. eigenvalues --    0.88286   0.88870   0.89027   0.89438   0.89508
 Alpha virt. eigenvalues --    0.89840   0.89934   0.90422   0.90551   0.91779
 Alpha virt. eigenvalues --    0.92150   0.92806   0.93265   0.93760   0.94153
 Alpha virt. eigenvalues --    0.94258   0.94743   0.95218   0.95811   0.96111
 Alpha virt. eigenvalues --    0.96334   0.97091   0.97348   0.97548   0.97755
 Alpha virt. eigenvalues --    0.97800   0.98022   0.98182   0.98343   0.98423
 Alpha virt. eigenvalues --    0.98520   0.98680   0.98776   0.99110   0.99255
 Alpha virt. eigenvalues --    0.99536   0.99862   1.00009   1.00371   1.01386
 Alpha virt. eigenvalues --    1.01779   1.02331   1.03924   1.04753   1.05447
 Alpha virt. eigenvalues --    1.05721   1.05764   1.06207   1.06626   1.07081
 Alpha virt. eigenvalues --    1.08466   1.09684   1.10096   1.10208   1.10760
 Alpha virt. eigenvalues --    1.10933   1.11138   1.12039   1.12118   1.12862
 Alpha virt. eigenvalues --    1.13010   1.13512   1.13660   1.13709   1.13869
 Alpha virt. eigenvalues --    1.14009   1.14463   1.15128   1.17283   1.17504
 Alpha virt. eigenvalues --    1.17843   1.18156   1.18276   1.18484   1.18839
 Alpha virt. eigenvalues --    1.19193   1.19727   1.19851   1.20036   1.20175
 Alpha virt. eigenvalues --    1.20549   1.20866   1.21005   1.21859   1.22414
 Alpha virt. eigenvalues --    1.23418   1.23606   1.24240   1.24575   1.24956
 Alpha virt. eigenvalues --    1.26292   1.26738   1.26840   1.27129   1.27226
 Alpha virt. eigenvalues --    1.28115   1.28650   1.29341   1.29562   1.29648
 Alpha virt. eigenvalues --    1.29941   1.30450   1.31051   1.31497   1.31966
 Alpha virt. eigenvalues --    1.32155   1.32377   1.33265   1.33633   1.33946
 Alpha virt. eigenvalues --    1.35172   1.35607   1.35737   1.35824   1.35951
 Alpha virt. eigenvalues --    1.36031   1.36077   1.36348   1.36576   1.37240
 Alpha virt. eigenvalues --    1.37428   1.37644   1.37866   1.37929   1.38214
 Alpha virt. eigenvalues --    1.38376   1.38638   1.39067   1.39289   1.39525
 Alpha virt. eigenvalues --    1.39957   1.40302   1.40391   1.40509   1.40542
 Alpha virt. eigenvalues --    1.40647   1.40810   1.40886   1.41044   1.41428
 Alpha virt. eigenvalues --    1.41682   1.41892   1.42069   1.42134   1.42949
 Alpha virt. eigenvalues --    1.43128   1.43368   1.44329   1.44600   1.45399
 Alpha virt. eigenvalues --    1.45804   1.46064   1.48265   1.48657   1.49743
 Alpha virt. eigenvalues --    1.50154   1.51281   1.56290   1.56664   1.57122
 Alpha virt. eigenvalues --    1.57926   1.59303   1.59452   1.59729   1.59996
 Alpha virt. eigenvalues --    1.60121   1.60235   1.61810   1.63539   1.65436
 Alpha virt. eigenvalues --    1.67624   1.67767   1.68625   1.68738   1.69833
 Alpha virt. eigenvalues --    1.70163   1.70746   1.70848   1.71574   1.71738
 Alpha virt. eigenvalues --    1.72405   1.72744   1.72891   1.74293   1.74546
 Alpha virt. eigenvalues --    1.74713   1.74887   1.74947   1.75113   1.75229
 Alpha virt. eigenvalues --    1.75423   1.75727   1.76040   1.76308   1.76638
 Alpha virt. eigenvalues --    1.76984   1.77128   1.77412   1.77959   1.78384
 Alpha virt. eigenvalues --    1.79123   1.79688   1.80042   1.80410   1.81090
 Alpha virt. eigenvalues --    1.81191   1.81697   1.82182   1.82435   1.82585
 Alpha virt. eigenvalues --    1.82810   1.83218   1.84369   1.84561   1.84898
 Alpha virt. eigenvalues --    1.86728   1.86885   1.87202   1.87283   1.87446
 Alpha virt. eigenvalues --    1.87713   1.88117   1.88249   1.88324   1.88640
 Alpha virt. eigenvalues --    1.88739   1.88897   1.89273   1.89370   1.89752
 Alpha virt. eigenvalues --    1.90069   1.90393   1.90834   1.90852   1.90971
 Alpha virt. eigenvalues --    1.91187   1.91451   1.91665   1.91731   1.92559
 Alpha virt. eigenvalues --    1.93048   1.93298   1.93607   1.93678   1.93933
 Alpha virt. eigenvalues --    1.94274   1.94557   1.95517   1.95836   1.95998
 Alpha virt. eigenvalues --    1.96379   1.96661   1.96877   1.97054   1.97217
 Alpha virt. eigenvalues --    1.97917   1.98449   1.98540   1.98777   1.98883
 Alpha virt. eigenvalues --    1.99292   1.99391   1.99688   1.99955   2.00306
 Alpha virt. eigenvalues --    2.00423   2.00760   2.02160   2.02288   2.02347
 Alpha virt. eigenvalues --    2.03097   2.03196   2.03357   2.04139   2.04403
 Alpha virt. eigenvalues --    2.04646   2.04980   2.07030   2.07152   2.07350
 Alpha virt. eigenvalues --    2.08023   2.09075   2.10204   2.10955   2.11088
 Alpha virt. eigenvalues --    2.11206   2.13723   2.14548   2.14586   2.15353
 Alpha virt. eigenvalues --    2.15576   2.15741   2.16941   2.17297   2.17360
 Alpha virt. eigenvalues --    2.17413   2.18031   2.18707   2.18953   2.19565
 Alpha virt. eigenvalues --    2.19758   2.20088   2.20445   2.20681   2.20854
 Alpha virt. eigenvalues --    2.21323   2.21676   2.22112   2.22753   2.23227
 Alpha virt. eigenvalues --    2.24253   2.24328   2.24658   2.26484   2.27055
 Alpha virt. eigenvalues --    2.27769   2.27856   2.28128   2.29013   2.29512
 Alpha virt. eigenvalues --    2.29621   2.29794   2.30198   2.30435   2.30903
 Alpha virt. eigenvalues --    2.31461   2.31745   2.32328   2.32488   2.33226
 Alpha virt. eigenvalues --    2.33658   2.33842   2.34079   2.34559   2.35153
 Alpha virt. eigenvalues --    2.36062   2.36140   2.36365   2.36540   2.36890
 Alpha virt. eigenvalues --    2.37039   2.37147   2.37243   2.37444   2.37776
 Alpha virt. eigenvalues --    2.38039   2.38427   2.38711   2.38836   2.39071
 Alpha virt. eigenvalues --    2.39264   2.39346   2.39945   2.40823   2.41102
 Alpha virt. eigenvalues --    2.41834   2.42094   2.42820   2.42943   2.43353
 Alpha virt. eigenvalues --    2.43438   2.43688   2.43819   2.43891   2.44250
 Alpha virt. eigenvalues --    2.44743   2.45229   2.45678   2.45731   2.46371
 Alpha virt. eigenvalues --    2.46710   2.46989   2.47035   2.47060   2.47526
 Alpha virt. eigenvalues --    2.47835   2.47961   2.49187   2.49606   2.50365
 Alpha virt. eigenvalues --    2.50405   2.50788   2.50865   2.51192   2.51388
 Alpha virt. eigenvalues --    2.51776   2.51870   2.52121   2.52322   2.52606
 Alpha virt. eigenvalues --    2.52977   2.53240   2.53456   2.53638   2.53950
 Alpha virt. eigenvalues --    2.54706   2.55100   2.55391   2.55690   2.56232
 Alpha virt. eigenvalues --    2.56529   2.56631   2.56862   2.56911   2.57085
 Alpha virt. eigenvalues --    2.57411   2.57748   2.58323   2.58838   2.59186
 Alpha virt. eigenvalues --    2.59250   2.59784   2.60039   2.60644   2.61031
 Alpha virt. eigenvalues --    2.61393   2.61754   2.62215   2.63036   2.64184
 Alpha virt. eigenvalues --    2.64336   2.64597   2.65096   2.65482   2.65694
 Alpha virt. eigenvalues --    2.66055   2.66733   2.67729   2.68445   2.68611
 Alpha virt. eigenvalues --    2.68690   2.68923   2.69590   2.69981   2.70663
 Alpha virt. eigenvalues --    2.71291   2.71638   2.72383   2.73182   2.73471
 Alpha virt. eigenvalues --    2.73805   2.73966   2.74120   2.74437   2.74500
 Alpha virt. eigenvalues --    2.75664   2.76009   2.76575   2.76975   2.77231
 Alpha virt. eigenvalues --    2.77952   2.78897   2.79583   2.80841   2.81630
 Alpha virt. eigenvalues --    2.81924   2.82423   2.82718   2.83496   2.83736
 Alpha virt. eigenvalues --    2.85149   2.85492   2.85755   2.87341   2.89571
 Alpha virt. eigenvalues --    2.89660   2.89903   2.90405   2.90833   2.91069
 Alpha virt. eigenvalues --    2.91305   2.91557   2.92706   2.94322   2.95256
 Alpha virt. eigenvalues --    2.95366   2.95970   2.97373   2.98770   3.00450
 Alpha virt. eigenvalues --    3.04623   3.05296   3.08926   3.10233   3.11256
 Alpha virt. eigenvalues --    3.12064   3.12348   3.12603   3.13263   3.14823
 Alpha virt. eigenvalues --    3.16282   3.17129   3.17976   3.18103   3.19628
 Alpha virt. eigenvalues --    3.21073   3.21192   3.21543   3.21811   3.23524
 Alpha virt. eigenvalues --    3.23688   3.23827   3.23934   3.24221   3.24267
 Alpha virt. eigenvalues --    3.24530   3.24678   3.25645   3.26411   3.27582
 Alpha virt. eigenvalues --    3.27924   3.29855   3.30392   3.30438   3.30674
 Alpha virt. eigenvalues --    3.32003   3.34756   3.35492   3.35895   3.36286
 Alpha virt. eigenvalues --    3.36385   3.36659   3.37155   3.42260   3.43285
 Alpha virt. eigenvalues --    3.43363   3.44957   3.45438   3.45946   3.46110
 Alpha virt. eigenvalues --    3.46176   3.47916   3.48545   3.50200   3.50293
 Alpha virt. eigenvalues --    3.51483   3.57679   3.71870   3.75873   3.80450
 Alpha virt. eigenvalues --    3.81053   3.81149   3.81790   3.89017   3.89065
 Alpha virt. eigenvalues --    3.89353   4.03486   4.07634   4.09661   4.10035
 Alpha virt. eigenvalues --    4.10241   4.10353   4.10950   4.12884   4.12981
 Alpha virt. eigenvalues --    4.13214   4.13315   4.13380   4.13650   4.14150
 Alpha virt. eigenvalues --    4.15136   4.17114   4.17339   4.17383   4.17628
 Alpha virt. eigenvalues --    4.17652   4.18021   4.18339   4.19836   4.19959
 Alpha virt. eigenvalues --    4.20144   4.20300   4.21604   4.22203   4.28308
 Alpha virt. eigenvalues --    4.35263   4.36219   4.36245   4.36529   4.37211
 Alpha virt. eigenvalues --    4.38077   4.40200   4.41094   4.43245   4.43402
 Alpha virt. eigenvalues --    4.43674   4.44000   4.45146   4.48352   4.49595
 Alpha virt. eigenvalues --    4.51625   4.51835   4.52049   4.52373   4.52514
 Alpha virt. eigenvalues --    4.52629   4.52641   4.61754   4.75822   4.80018
 Alpha virt. eigenvalues --    4.81821   4.83504   4.83948   4.88190   4.92143
 Alpha virt. eigenvalues --    4.92261   4.92507   4.98818
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.269648
     2  C   -0.169343
     3  C    0.060330
     4  C    0.046404
     5  C   -0.120794
     6  C   -0.103184
     7  C    0.045027
     8  C    0.086697
     9  C    0.317024
    10  C    0.252851
    11  C   -0.178779
    12  C    0.287093
    13  C   -0.124650
    14  C   -0.094915
    15  N   -0.667290
    16  C    0.327375
    17  C    0.278817
    18  N   -0.593620
    19  C   -0.103380
    20  C   -0.105536
    21  C    0.274524
    22  C   -0.137130
    23  N   -0.743174
    24  N   -0.747192
    25  N   -0.744190
    26  C    0.292524
    27  C    0.042133
    28  C    0.041439
    29  C    0.293545
    30  C    0.293160
    31  C    0.041104
    32  C    0.041726
    33  C    0.292596
    34  C    0.294996
    35  C    0.041491
    36  C    0.042816
    37  C    0.291836
    38  C   -0.131914
    39  C   -0.097877
    40  C   -0.097403
    41  C   -0.110490
    42  C   -0.108920
    43  C   -0.098272
    44  C   -0.097697
    45  C   -0.132120
    46  C   -0.132143
    47  C   -0.098596
    48  C   -0.097226
    49  C   -0.111252
    50  C   -0.110668
    51  C   -0.098275
    52  C   -0.098927
    53  C   -0.132277
    54  C   -0.131730
    55  C   -0.097812
    56  C   -0.097741
    57  C   -0.111121
    58  C   -0.107605
    59  C   -0.098115
    60  C   -0.098039
    61  C   -0.131884
    62  H    0.121440
    63  H    0.126621
    64  H    0.118460
    65  H    0.119922
    66  H    0.132690
    67  H    0.135046
    68  H    0.251049
    69  H    0.176638
    70  H    0.135064
    71  H    0.128447
    72  H    0.089777
    73  H    0.085688
    74  H    0.088633
    75  H    0.094642
    76  H    0.104539
    77  H    0.091976
    78  H    0.085923
    79  H    0.088878
    80  H    0.089121
    81  H    0.085574
    82  H    0.089136
    83  H    0.093871
    84  H    0.094373
    85  H    0.087354
    86  H    0.085047
    87  H    0.089255
    88  H    0.090209
    89  H    0.087039
    90  H    0.091659
    91  H    0.100476
    92  H    0.095229
    93  H    0.088440
    94  H    0.086198
    95  H    0.090290
    96  Cl  -0.612579
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.269648
     2  C   -0.047904
     3  C    0.060330
     4  C    0.046404
     5  C    0.005827
     6  C    0.015276
     7  C    0.045027
     8  C    0.086697
     9  C    0.317024
    10  C    0.252851
    11  C   -0.058857
    12  C    0.287093
    13  C    0.008040
    14  C    0.040132
    15  N   -0.416241
    16  C    0.327375
    17  C    0.278817
    18  N   -0.593620
    19  C    0.073258
    20  C    0.029528
    21  C    0.274524
    22  C   -0.008683
    23  N   -0.743174
    24  N   -0.747192
    25  N   -0.744190
    26  C    0.292524
    27  C    0.042133
    28  C    0.041439
    29  C    0.293545
    30  C    0.293160
    31  C    0.041104
    32  C    0.041726
    33  C    0.292596
    34  C    0.294996
    35  C    0.041491
    36  C    0.042816
    37  C    0.291836
    38  C   -0.042137
    39  C   -0.012188
    40  C   -0.008770
    41  C   -0.015848
    42  C   -0.004380
    43  C   -0.006296
    44  C   -0.011775
    45  C   -0.043242
    46  C   -0.043022
    47  C   -0.013022
    48  C   -0.008090
    49  C   -0.017381
    50  C   -0.016294
    51  C   -0.010921
    52  C   -0.013880
    53  C   -0.043022
    54  C   -0.041521
    55  C   -0.010773
    56  C   -0.006081
    57  C   -0.010645
    58  C   -0.012376
    59  C   -0.009676
    60  C   -0.011841
    61  C   -0.041594
    96  Cl  -0.612579
 APT charges:
               1
     1  C    0.796797
     2  C   -0.338155
     3  C    0.243275
     4  C   -0.303668
     5  C    0.077290
     6  C   -0.209020
     7  C    0.409591
     8  C   -0.524944
     9  C    0.501021
    10  C    0.202790
    11  C   -0.487563
    12  C    1.019005
    13  C   -0.310530
    14  C    0.119561
    15  N   -0.144212
    16  C   -0.315860
    17  C    0.234532
    18  N   -0.065201
    19  C    0.124592
    20  C   -0.260629
    21  C    0.912485
    22  C   -0.263742
    23  N   -1.091448
    24  N   -1.245717
    25  N   -1.259820
    26  C    0.434991
    27  C   -0.077688
    28  C   -0.069043
    29  C    0.372821
    30  C    0.398961
    31  C   -0.074181
    32  C   -0.072876
    33  C    0.343100
    34  C    0.348724
    35  C   -0.100816
    36  C   -0.063023
    37  C    0.485603
    38  C    0.050031
    39  C   -0.158147
    40  C    0.043311
    41  C   -0.073806
    42  C   -0.086911
    43  C    0.054371
    44  C   -0.157194
    45  C    0.049109
    46  C    0.056331
    47  C   -0.146974
    48  C    0.041967
    49  C   -0.066959
    50  C   -0.077069
    51  C    0.045410
    52  C   -0.147912
    53  C    0.057777
    54  C    0.038622
    55  C   -0.164834
    56  C    0.065591
    57  C   -0.099792
    58  C   -0.059062
    59  C    0.045279
    60  C   -0.161695
    61  C    0.060771
    62  H    0.062853
    63  H    0.072041
    64  H    0.050617
    65  H    0.059581
    66  H    0.060519
    67  H    0.165795
    68  H    0.685500
    69  H    0.145354
    70  H    0.061141
    71  H    0.071253
    72  H    0.017188
    73  H    0.005249
    74  H    0.018469
    75  H    0.034362
    76  H    0.049073
    77  H    0.019352
    78  H    0.004203
    79  H    0.017079
    80  H    0.018543
    81  H    0.006410
    82  H    0.018061
    83  H    0.031560
    84  H    0.039784
    85  H    0.015150
    86  H    0.005109
    87  H    0.019102
    88  H    0.016505
    89  H    0.002335
    90  H    0.018338
    91  H    0.041382
    92  H    0.034564
    93  H    0.019642
    94  H    0.005595
    95  H    0.017171
    96  Cl  -0.864098
 Sum of APT charges =   0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.796797
     2  C   -0.275302
     3  C    0.243275
     4  C   -0.303668
     5  C    0.149331
     6  C   -0.158404
     7  C    0.409591
     8  C   -0.524944
     9  C    0.501021
    10  C    0.202790
    11  C   -0.427982
    12  C    1.019005
    13  C   -0.250011
    14  C    0.285356
    15  N    0.541288
    16  C   -0.315860
    17  C    0.234532
    18  N   -0.065201
    19  C    0.269946
    20  C   -0.199488
    21  C    0.912485
    22  C   -0.192488
    23  N   -1.091448
    24  N   -1.245717
    25  N   -1.259820
    26  C    0.434991
    27  C   -0.077688
    28  C   -0.069043
    29  C    0.372821
    30  C    0.398961
    31  C   -0.074181
    32  C   -0.072876
    33  C    0.343100
    34  C    0.348724
    35  C   -0.100816
    36  C   -0.063023
    37  C    0.485603
    38  C    0.067219
    39  C   -0.152898
    40  C    0.061780
    41  C   -0.039444
    42  C   -0.037838
    43  C    0.073723
    44  C   -0.152992
    45  C    0.066188
    46  C    0.074874
    47  C   -0.140564
    48  C    0.060028
    49  C   -0.035400
    50  C   -0.037284
    51  C    0.060560
    52  C   -0.142803
    53  C    0.076880
    54  C    0.055127
    55  C   -0.162499
    56  C    0.083929
    57  C   -0.058410
    58  C   -0.024498
    59  C    0.064921
    60  C   -0.156100
    61  C    0.077942
    96  Cl  -0.864098
 Electronic spatial extent (au):  <R**2>=          69085.0537
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1468    Y=              7.6732    Z=              0.2288  Tot=              7.7618
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -307.5804   YY=           -389.0529   ZZ=           -351.4354
   XY=             19.0384   XZ=             -4.3794   YZ=             -5.6054
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             41.7759   YY=            -39.6967   ZZ=             -2.0792
   XY=             19.0384   XZ=             -4.3794   YZ=             -5.6054
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            151.9157  YYY=            307.4044  ZZZ=              1.3030  XYY=           -184.4046
  XXY=             19.5683  XXZ=            -26.7289  XZZ=              8.5782  YZZ=              7.9626
  YYZ=             15.5656  XYZ=             82.7417
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -60569.3304 YYYY=         -26008.3102 ZZZZ=          -4250.6301 XXXY=            629.2176
 XXXZ=           -539.7904 YYYX=            412.6586 YYYZ=           -729.5752 ZZZX=            -64.9481
 ZZZY=            -34.5241 XXYY=         -14535.9509 XXZZ=         -11567.9036 YYZZ=          -4760.7387
 XXYZ=            465.4886 YYXZ=           -105.4657 ZZXY=             -1.7880
 N-N= 7.845313766766D+03 E-N=-2.240717724799D+04  KE= 2.863896600113D+03
  Exact polarizability:1301.979  10.948 752.816 -39.962 -43.132 459.044
 Approx polarizability:1791.237  -4.0301179.937 -77.936 -81.588 774.637
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.1272   -0.7157   -0.0025   -0.0014    0.0020    0.7988
 Low frequencies ---    6.9851   12.4601   15.1679
 Diagonal vibrational polarizability:
      263.2829843     147.1303297     938.7392358
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                      A                      A                      A
 Frequencies --      6.9833                12.4595                15.1676
 Red. masses --      7.7678                 6.0666                 5.8603
 Frc consts  --      0.0002                 0.0006                 0.0008
 IR Inten    --      1.0976                 0.0816                 0.5295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02    -0.00   0.00  -0.05     0.00   0.00   0.02
     2   6    -0.00  -0.00   0.03    -0.00   0.00  -0.04     0.00   0.00   0.02
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.06     0.00   0.00   0.02
     4   6    -0.00  -0.00   0.01    -0.00   0.01  -0.10     0.00   0.00   0.02
     5   6    -0.00   0.00  -0.00    -0.00   0.01  -0.12     0.00   0.00   0.02
     6   6    -0.00  -0.00   0.01    -0.00   0.01  -0.10     0.00   0.00   0.02
     7   6    -0.00  -0.00   0.02    -0.00   0.00  -0.06     0.00   0.00   0.01
     8   6    -0.00  -0.00   0.04    -0.00   0.00  -0.07     0.00   0.00  -0.02
     9   6    -0.00  -0.00   0.05    -0.00   0.00  -0.08     0.00   0.00   0.00
    10   6    -0.00  -0.00   0.02    -0.00   0.01  -0.09     0.00   0.00   0.01
    11   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.04     0.00   0.00   0.02
    12   6     0.00  -0.00  -0.01    -0.00   0.00  -0.04     0.00   0.00  -0.02
    13   6     0.00  -0.00   0.02    -0.00   0.00  -0.05     0.00   0.01  -0.07
    14   6     0.00  -0.00   0.05    -0.00   0.00  -0.07     0.00   0.01  -0.06
    15   7    -0.00  -0.00   0.08    -0.00   0.00  -0.06     0.00   0.00   0.01
    16   6    -0.00  -0.00   0.07    -0.00   0.00  -0.06     0.00   0.00   0.02
    17   6    -0.00  -0.00   0.02    -0.00   0.00  -0.08     0.00   0.00   0.01
    18   7    -0.00   0.00  -0.00    -0.00   0.01  -0.10     0.00   0.00   0.02
    19   6    -0.00  -0.00   0.10    -0.00   0.00  -0.02     0.00  -0.00   0.03
    20   6    -0.00  -0.00   0.07    -0.00   0.00  -0.01     0.00  -0.00   0.03
    21   6    -0.00  -0.00   0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
    22   6    -0.00   0.00  -0.01    -0.00   0.00  -0.06     0.00  -0.00   0.01
    23   7    -0.00  -0.00   0.04    -0.00   0.00  -0.02     0.00   0.00   0.00
    24   7     0.00   0.00  -0.04    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    25   7    -0.00   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00   0.01
    26   6    -0.02   0.00  -0.06     0.01  -0.00  -0.01     0.03  -0.05  -0.06
    27   6    -0.01  -0.00  -0.10     0.01  -0.00   0.02     0.02  -0.03  -0.03
    28   6     0.02  -0.01  -0.11    -0.01   0.00   0.03    -0.02   0.04   0.05
    29   6     0.03  -0.01  -0.08    -0.02   0.00   0.00    -0.02   0.05   0.06
    30   6    -0.01  -0.00   0.04    -0.04  -0.01  -0.02     0.01  -0.00  -0.01
    31   6    -0.01  -0.00   0.06    -0.02   0.00   0.04     0.00  -0.01  -0.04
    32   6     0.01   0.00   0.07     0.03   0.01   0.07    -0.01  -0.00  -0.04
    33   6     0.01  -0.00   0.06     0.04   0.01   0.04    -0.01   0.00  -0.02
    34   6     0.01   0.04  -0.07    -0.03   0.02   0.00     0.01   0.01  -0.01
    35   6     0.00   0.04  -0.09    -0.02  -0.00   0.05     0.00   0.01  -0.02
    36   6    -0.01  -0.02  -0.06     0.02  -0.03   0.09     0.00  -0.01  -0.01
    37   6    -0.01  -0.03  -0.01     0.03  -0.03   0.06     0.00  -0.02   0.01
    38   6     0.04  -0.01  -0.15    -0.03   0.00   0.05    -0.04   0.08   0.12
    39   6     0.07  -0.02  -0.16    -0.04   0.00   0.05    -0.07   0.15   0.18
    40   6     0.08  -0.02  -0.12    -0.05   0.00   0.03    -0.08   0.16   0.18
    41   6     0.05  -0.01  -0.08    -0.04   0.00   0.00    -0.06   0.12   0.12
    42   6    -0.05   0.01  -0.03     0.03  -0.00  -0.02     0.06  -0.11  -0.13
    43   6    -0.07   0.01  -0.06     0.05  -0.00  -0.01     0.08  -0.16  -0.17
    44   6    -0.06   0.00  -0.10     0.04  -0.00   0.02     0.07  -0.14  -0.14
    45   6    -0.03  -0.00  -0.12     0.02  -0.00   0.03     0.04  -0.08  -0.07
    46   6     0.02   0.00   0.09     0.07   0.02   0.14    -0.03  -0.01  -0.06
    47   6     0.04   0.00   0.09     0.12   0.03   0.16    -0.04  -0.00  -0.06
    48   6     0.04   0.00   0.08     0.13   0.03   0.13    -0.04   0.01  -0.04
    49   6     0.03   0.00   0.06     0.09   0.02   0.06    -0.02   0.01  -0.02
    50   6    -0.03  -0.00   0.02    -0.09  -0.02  -0.07     0.02  -0.01  -0.00
    51   6    -0.04  -0.00   0.03    -0.12  -0.02  -0.06     0.03  -0.02  -0.02
    52   6    -0.03  -0.00   0.05    -0.10  -0.01  -0.00     0.02  -0.02  -0.04
    53   6    -0.02  -0.00   0.06    -0.05  -0.00   0.04     0.00  -0.02  -0.05
    54   6    -0.01  -0.04  -0.06     0.04  -0.06   0.14     0.00  -0.02  -0.00
    55   6    -0.02  -0.09  -0.02     0.08  -0.08   0.16    -0.00  -0.04   0.01
    56   6    -0.02  -0.11   0.02     0.09  -0.08   0.13    -0.00  -0.05   0.03
    57   6    -0.02  -0.08   0.03     0.06  -0.05   0.08    -0.00  -0.04   0.02
    58   6     0.02   0.09  -0.09    -0.06   0.05  -0.04     0.01   0.03  -0.02
    59   6     0.02   0.13  -0.14    -0.09   0.06  -0.03     0.01   0.05  -0.04
    60   6     0.02   0.12  -0.16    -0.07   0.04   0.02     0.01   0.04  -0.05
    61   6     0.01   0.07  -0.14    -0.04   0.01   0.06     0.01   0.02  -0.04
    62   1    -0.00  -0.00   0.04    -0.00   0.00  -0.01     0.00   0.00   0.01
    63   1    -0.00   0.00  -0.01    -0.00   0.01  -0.14     0.00   0.00   0.03
    64   1    -0.00   0.00  -0.00    -0.00   0.01  -0.11     0.00   0.00   0.03
    65   1    -0.00  -0.00  -0.03    -0.00   0.00  -0.03     0.01   0.00   0.05
    66   1     0.00  -0.00   0.02    -0.00   0.00  -0.05     0.00   0.01  -0.11
    67   1     0.00  -0.00   0.07    -0.00   0.00  -0.08     0.00   0.01  -0.09
    68   1    -0.00  -0.01   0.14    -0.00   0.00  -0.04    -0.00   0.00   0.04
    69   1    -0.00  -0.01   0.14    -0.00   0.00  -0.01    -0.00  -0.00   0.04
    70   1    -0.00  -0.00   0.09    -0.00  -0.00   0.02    -0.00  -0.00   0.04
    71   1    -0.00   0.00  -0.05    -0.00   0.00  -0.08     0.00  -0.00   0.00
    72   1     0.03  -0.01  -0.18    -0.02   0.00   0.07    -0.03   0.07   0.11
    73   1     0.08  -0.02  -0.19    -0.06   0.00   0.07    -0.09   0.18   0.23
    74   1     0.10  -0.02  -0.12    -0.07   0.00   0.03    -0.11   0.21   0.23
    75   1     0.06  -0.01  -0.05    -0.04   0.00  -0.01    -0.07   0.13   0.12
    76   1    -0.06   0.01  -0.00     0.04  -0.00  -0.04     0.06  -0.13  -0.15
    77   1    -0.09   0.01  -0.04     0.06  -0.00  -0.02     0.10  -0.21  -0.23
    78   1    -0.08   0.00  -0.12     0.05  -0.00   0.03     0.09  -0.18  -0.17
    79   1    -0.02  -0.00  -0.16     0.02  -0.00   0.05     0.03  -0.06  -0.04
    80   1     0.02   0.00   0.10     0.06   0.02   0.16    -0.03  -0.01  -0.08
    81   1     0.05   0.00   0.11     0.15   0.04   0.21    -0.05  -0.00  -0.08
    82   1     0.05   0.00   0.09     0.17   0.04   0.15    -0.05   0.01  -0.04
    83   1     0.03   0.00   0.05     0.10   0.02   0.04    -0.02   0.01   0.00
    84   1    -0.03  -0.01   0.01    -0.11  -0.02  -0.11     0.03  -0.01   0.02
    85   1    -0.05  -0.01   0.02    -0.16  -0.03  -0.09     0.04  -0.02  -0.01
    86   1    -0.04  -0.00   0.05    -0.13  -0.02   0.00     0.02  -0.03  -0.05
    87   1    -0.01  -0.00   0.08    -0.04   0.00   0.08    -0.00  -0.02  -0.07
    88   1    -0.01  -0.03  -0.09     0.04  -0.06   0.16     0.00  -0.02  -0.02
    89   1    -0.03  -0.12  -0.02     0.10  -0.11   0.20    -0.00  -0.05   0.01
    90   1    -0.03  -0.15   0.06     0.12  -0.10   0.14    -0.00  -0.06   0.04
    91   1    -0.02  -0.10   0.06     0.07  -0.05   0.05    -0.00  -0.04   0.03
    92   1     0.02   0.10  -0.07    -0.07   0.06  -0.07     0.01   0.03  -0.01
    93   1     0.03   0.17  -0.16    -0.11   0.08  -0.06     0.01   0.06  -0.05
    94   1     0.03   0.15  -0.20    -0.09   0.05   0.02     0.01   0.06  -0.06
    95   1     0.01   0.07  -0.16    -0.03  -0.00   0.09     0.01   0.02  -0.04
    96  17    -0.01  -0.01   0.24    -0.00   0.00  -0.02    -0.01  -0.00   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --     16.0956                21.3860                21.3918
 Red. masses --      5.6792                 6.6871                 8.4206
 Frc consts  --      0.0009                 0.0018                 0.0023
 IR Inten    --      0.1302                 1.0049                 3.0693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.02     0.01   0.01   0.00    -0.01   0.01  -0.07
     2   6     0.00  -0.00  -0.04     0.02   0.01  -0.01    -0.02   0.01  -0.07
     3   6     0.00  -0.00  -0.04     0.02   0.02  -0.02    -0.02   0.00  -0.07
     4   6     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.02   0.00  -0.07
     5   6    -0.00  -0.00  -0.00     0.01   0.03  -0.03    -0.01   0.00  -0.08
     6   6    -0.00  -0.00   0.01     0.00   0.02  -0.01    -0.01   0.00  -0.08
     7   6     0.00  -0.00  -0.05     0.02   0.02  -0.03    -0.02   0.00  -0.06
     8   6     0.00  -0.00  -0.04     0.02   0.02  -0.02    -0.01   0.01  -0.05
     9   6     0.00  -0.00  -0.03     0.02   0.02  -0.02    -0.01   0.00  -0.04
    10   6     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.01   0.01  -0.06
    11   6     0.00  -0.00  -0.04     0.02   0.02  -0.03    -0.01  -0.00  -0.05
    12   6     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.01  -0.00  -0.04
    13   6     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.01   0.00  -0.05
    14   6     0.00  -0.00  -0.04     0.02   0.02  -0.03    -0.01   0.00  -0.05
    15   7     0.00  -0.00  -0.02     0.02   0.02  -0.01    -0.01   0.00  -0.02
    16   6     0.00  -0.00  -0.02     0.02   0.02  -0.02    -0.01   0.00  -0.03
    17   6     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.01   0.01  -0.04
    18   7     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.01   0.01  -0.05
    19   6     0.00  -0.00   0.00     0.02   0.02  -0.02    -0.01   0.00  -0.02
    20   6    -0.00  -0.00   0.01     0.02   0.02  -0.03    -0.01   0.00  -0.03
    21   6     0.00  -0.00  -0.01     0.02   0.02  -0.03    -0.02   0.00  -0.03
    22   6     0.00  -0.00  -0.03     0.02   0.02  -0.03    -0.01   0.01  -0.04
    23   7    -0.00  -0.00  -0.01    -0.01  -0.00   0.02    -0.01   0.01  -0.06
    24   7     0.00  -0.00  -0.01     0.02   0.03  -0.03    -0.00  -0.02  -0.01
    25   7     0.00  -0.00  -0.00     0.02   0.01  -0.03    -0.02   0.01  -0.02
    26   6     0.01   0.01   0.02     0.00   0.05  -0.01     0.03  -0.03  -0.00
    27   6     0.00   0.01   0.04    -0.01   0.09   0.02     0.03  -0.06   0.01
    28   6    -0.01  -0.00   0.03     0.00   0.09   0.01    -0.00  -0.08   0.01
    29   6    -0.01  -0.01  -0.00     0.02   0.05  -0.02    -0.02  -0.05  -0.01
    30   6     0.03   0.04   0.05    -0.06  -0.02   0.01     0.02   0.05  -0.01
    31   6     0.02   0.03   0.05    -0.10  -0.08  -0.01     0.05   0.08   0.03
    32   6    -0.02  -0.03  -0.01    -0.08  -0.11  -0.01     0.04   0.06   0.02
    33   6    -0.03  -0.05  -0.04    -0.02  -0.06   0.00     0.01   0.02  -0.04
    34   6    -0.01   0.03  -0.03     0.04  -0.03   0.00    -0.01  -0.04   0.02
    35   6    -0.01   0.02  -0.02     0.05  -0.06   0.02    -0.01  -0.03   0.03
    36   6     0.01  -0.02   0.02     0.04  -0.04   0.00    -0.02   0.02  -0.01
    37   6     0.01  -0.03   0.03     0.02   0.00  -0.03    -0.02   0.04  -0.04
    38   6    -0.02  -0.01   0.05    -0.00   0.11   0.03    -0.02  -0.11   0.02
    39   6    -0.03  -0.03   0.03     0.01   0.10   0.02    -0.05  -0.11   0.01
    40   6    -0.03  -0.04  -0.01     0.02   0.06  -0.01    -0.07  -0.08  -0.00
    41   6    -0.02  -0.03  -0.02     0.03   0.04  -0.03    -0.06  -0.05  -0.01
    42   6     0.02   0.03   0.02     0.00   0.05  -0.01     0.06  -0.01  -0.01
    43   6     0.03   0.05   0.06    -0.01   0.08   0.02     0.09  -0.03   0.00
    44   6     0.02   0.05   0.08    -0.02   0.12   0.05     0.09  -0.06   0.02
    45   6     0.01   0.03   0.08    -0.02   0.12   0.05     0.06  -0.08   0.02
    46   6    -0.04  -0.06  -0.05    -0.10  -0.17  -0.03     0.06   0.08   0.05
    47   6    -0.08  -0.12  -0.11    -0.07  -0.18  -0.04     0.05   0.06   0.02
    48   6    -0.10  -0.13  -0.13    -0.01  -0.13  -0.02     0.02   0.02  -0.03
    49   6    -0.07  -0.10  -0.10     0.01  -0.07   0.00    -0.01   0.00  -0.06
    50   6     0.06   0.10   0.10    -0.07   0.02   0.02     0.02   0.05  -0.01
    51   6     0.09   0.14   0.16    -0.12  -0.00   0.01     0.05   0.10   0.04
    52   6     0.08   0.12   0.16    -0.17  -0.06  -0.01     0.08   0.13   0.09
    53   6     0.05   0.07   0.10    -0.16  -0.10  -0.02     0.08   0.12   0.08
    54   6     0.02  -0.05   0.05     0.04  -0.06   0.01    -0.02   0.05  -0.02
    55   6     0.04  -0.09   0.08     0.02  -0.03  -0.01    -0.03   0.09  -0.06
    56   6     0.04  -0.10   0.08     0.01   0.01  -0.04    -0.03   0.11  -0.09
    57   6     0.03  -0.07   0.06     0.01   0.03  -0.05    -0.03   0.09  -0.07
    58   6    -0.03   0.07  -0.06     0.04  -0.04   0.01    -0.01  -0.09   0.05
    59   6    -0.04   0.10  -0.09     0.06  -0.09   0.05    -0.01  -0.13   0.10
    60   6    -0.03   0.09  -0.07     0.07  -0.12   0.07    -0.01  -0.13   0.11
    61   6    -0.02   0.05  -0.04     0.06  -0.11   0.06    -0.01  -0.08   0.08
    62   1     0.00  -0.00  -0.06     0.02   0.01   0.00    -0.02   0.01  -0.07
    63   1    -0.00  -0.00   0.01     0.01   0.03  -0.03    -0.01   0.00  -0.08
    64   1    -0.00  -0.01   0.03    -0.00   0.02  -0.01    -0.01   0.00  -0.08
    65   1     0.00  -0.00  -0.04     0.02   0.02  -0.03    -0.02  -0.00  -0.05
    66   1     0.00  -0.00  -0.02     0.02   0.02  -0.03    -0.00  -0.00  -0.04
    67   1     0.00  -0.00  -0.03     0.02   0.02  -0.02    -0.01   0.01  -0.05
    68   1     0.00  -0.00  -0.02     0.02   0.02   0.04    -0.02   0.00   0.07
    69   1     0.00  -0.00   0.02     0.01   0.02  -0.01    -0.01   0.00  -0.00
    70   1    -0.00  -0.00   0.03     0.02   0.02  -0.03    -0.01   0.01  -0.03
    71   1    -0.00  -0.00  -0.04     0.03   0.02  -0.04    -0.01   0.01  -0.04
    72   1    -0.02  -0.00   0.07    -0.01   0.14   0.06    -0.00  -0.13   0.03
    73   1    -0.04  -0.03   0.04     0.01   0.12   0.04    -0.06  -0.14   0.02
    74   1    -0.04  -0.05  -0.02     0.03   0.06  -0.02    -0.10  -0.09  -0.01
    75   1    -0.02  -0.04  -0.04     0.04   0.01  -0.05    -0.07  -0.03  -0.02
    76   1     0.03   0.03   0.00     0.01   0.02  -0.03     0.05   0.02  -0.01
    77   1     0.04   0.06   0.06    -0.02   0.08   0.02     0.11  -0.01   0.00
    78   1     0.03   0.06   0.11    -0.04   0.14   0.07     0.11  -0.07   0.02
    79   1     0.01   0.03   0.10    -0.03   0.15   0.07     0.06  -0.11   0.03
    80   1    -0.03  -0.05  -0.02    -0.14  -0.20  -0.05     0.09   0.11   0.09
    81   1    -0.10  -0.14  -0.13    -0.08  -0.23  -0.05     0.06   0.07   0.04
    82   1    -0.13  -0.17  -0.18     0.01  -0.15  -0.02     0.01   0.00  -0.05
    83   1    -0.08  -0.11  -0.12     0.06  -0.04   0.02    -0.03  -0.03  -0.10
    84   1     0.07   0.11   0.10    -0.04   0.07   0.03    -0.01   0.03  -0.05
    85   1     0.12   0.18   0.20    -0.13   0.03   0.01     0.05   0.10   0.04
    86   1     0.11   0.16   0.20    -0.21  -0.08  -0.02     0.10   0.16   0.13
    87   1     0.04   0.06   0.11    -0.19  -0.15  -0.04     0.10   0.14   0.12
    88   1     0.02  -0.04   0.05     0.05  -0.09   0.04    -0.02   0.03  -0.00
    89   1     0.05  -0.11   0.10     0.03  -0.04  -0.00    -0.03   0.12  -0.07
    90   1     0.06  -0.13   0.11     0.00   0.03  -0.05    -0.03   0.15  -0.12
    91   1     0.04  -0.08   0.06    -0.00   0.06  -0.07    -0.03   0.10  -0.09
    92   1    -0.03   0.08  -0.07     0.04  -0.01  -0.01    -0.01  -0.09   0.04
    93   1    -0.05   0.13  -0.11     0.07  -0.09   0.06    -0.01  -0.17   0.12
    94   1    -0.04   0.11  -0.09     0.08  -0.15   0.10    -0.00  -0.16   0.15
    95   1    -0.02   0.04  -0.03     0.07  -0.13   0.08    -0.01  -0.07   0.09
    96  17     0.00  -0.00  -0.01     0.01   0.02   0.14    -0.02  -0.00   0.29
                      7                      8                      9
                      A                      A                      A
 Frequencies --     24.2341                32.4674                37.4530
 Red. masses --      6.1133                 6.2483                 5.9363
 Frc consts  --      0.0021                 0.0039                 0.0049
 IR Inten    --      0.2405                 0.4207                 1.9417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03    -0.01   0.00  -0.06     0.01  -0.00   0.13
     2   6     0.02  -0.05  -0.03    -0.00   0.01  -0.07    -0.00   0.00   0.08
     3   6     0.01  -0.05  -0.03    -0.00   0.01  -0.06    -0.00   0.00   0.04
     4   6     0.01  -0.06  -0.02    -0.00   0.01  -0.02    -0.00  -0.00   0.08
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.02     0.00  -0.01   0.15
     6   6     0.02  -0.05  -0.02    -0.01   0.01  -0.04     0.01  -0.01   0.18
     7   6     0.01  -0.05  -0.03    -0.00   0.01  -0.07    -0.00   0.01  -0.03
     8   6     0.01  -0.06  -0.03     0.00   0.01  -0.06    -0.00   0.01  -0.07
     9   6     0.01  -0.06  -0.02    -0.00   0.01   0.00    -0.00   0.00  -0.03
    10   6     0.01  -0.06  -0.02    -0.00   0.01   0.02    -0.00  -0.00   0.03
    11   6     0.01  -0.04  -0.04     0.00   0.01  -0.09    -0.00   0.01  -0.07
    12   6     0.00  -0.04  -0.04     0.01   0.00  -0.10     0.00   0.01  -0.12
    13   6    -0.00  -0.05  -0.04     0.01   0.01  -0.10     0.00   0.01  -0.17
    14   6     0.00  -0.06  -0.03     0.01   0.01  -0.08     0.00   0.01  -0.15
    15   7     0.01  -0.06  -0.00    -0.00   0.01   0.04    -0.00   0.00  -0.05
    16   6     0.01  -0.06   0.01    -0.00   0.00   0.10    -0.00  -0.00  -0.03
    17   6     0.01  -0.06   0.01    -0.00   0.00   0.11    -0.00  -0.00  -0.00
    18   7     0.01  -0.06  -0.00    -0.00   0.00   0.07    -0.00  -0.00   0.03
    19   6     0.02  -0.05   0.01    -0.01  -0.00   0.14    -0.01  -0.00  -0.05
    20   6     0.02  -0.05   0.02    -0.01  -0.01   0.17    -0.00  -0.00  -0.04
    21   6     0.01  -0.05   0.03    -0.00  -0.01   0.15    -0.00  -0.01  -0.02
    22   6     0.01  -0.05   0.02     0.00  -0.00   0.14    -0.00  -0.01  -0.00
    23   7     0.03  -0.05  -0.02    -0.01  -0.00  -0.04     0.02   0.01   0.11
    24   7    -0.00  -0.02  -0.05     0.01  -0.01  -0.07     0.00  -0.00  -0.09
    25   7     0.00  -0.03   0.04     0.00  -0.02   0.11    -0.00  -0.01  -0.01
    26   6    -0.03   0.01  -0.02     0.03   0.01  -0.04     0.03   0.02  -0.04
    27   6    -0.05   0.08   0.02     0.02   0.01   0.01     0.02   0.02   0.01
    28   6    -0.03   0.09   0.02    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    29   6    -0.00   0.02  -0.02    -0.02  -0.02  -0.04    -0.02  -0.03  -0.07
    30   6     0.03  -0.04  -0.01    -0.03   0.01  -0.03     0.03  -0.03   0.05
    31   6     0.04  -0.03   0.01    -0.02   0.01   0.01     0.01  -0.02  -0.01
    32   6     0.05  -0.03   0.01     0.00  -0.00   0.01    -0.01   0.02   0.00
    33   6     0.04  -0.04  -0.01     0.01  -0.01  -0.02    -0.01   0.04   0.08
    34   6    -0.03   0.00   0.03     0.05  -0.01   0.07    -0.01   0.00  -0.01
    35   6    -0.05   0.09  -0.01     0.03  -0.00  -0.01    -0.01   0.00  -0.01
    36   6    -0.03   0.11  -0.02    -0.03  -0.01  -0.02     0.00  -0.00   0.00
    37   6     0.01   0.03   0.02    -0.04  -0.02   0.05     0.01  -0.01  -0.00
    38   6    -0.04   0.14   0.06    -0.03  -0.02   0.05    -0.03  -0.04   0.02
    39   6    -0.01   0.14   0.05    -0.06  -0.03   0.03    -0.06  -0.07  -0.01
    40   6     0.01   0.07   0.01    -0.07  -0.04  -0.02    -0.07  -0.07  -0.07
    41   6     0.02   0.01  -0.03    -0.05  -0.03  -0.06    -0.05  -0.05  -0.10
    42   6    -0.04  -0.01  -0.03     0.07   0.02  -0.04     0.07   0.06  -0.04
    43   6    -0.07   0.04   0.01     0.09   0.04   0.00     0.09   0.09   0.03
    44   6    -0.09   0.11   0.05     0.08   0.04   0.05     0.08   0.08   0.09
    45   6    -0.08   0.13   0.06     0.04   0.02   0.06     0.04   0.04   0.08
    46   6     0.06  -0.02   0.03     0.02  -0.01   0.04    -0.03   0.04  -0.04
    47   6     0.06  -0.02   0.02     0.05  -0.02   0.04    -0.06   0.08  -0.01
    48   6     0.05  -0.03   0.00     0.05  -0.02   0.01    -0.06   0.10   0.06
    49   6     0.04  -0.04  -0.01     0.03  -0.02  -0.02    -0.03   0.08   0.10
    50   6     0.03  -0.04  -0.01    -0.05   0.02  -0.04     0.06  -0.07   0.06
    51   6     0.04  -0.03  -0.00    -0.06   0.03  -0.02     0.06  -0.11  -0.01
    52   6     0.05  -0.02   0.02    -0.05   0.02   0.01     0.04  -0.11  -0.08
    53   6     0.05  -0.02   0.02    -0.03   0.01   0.03     0.02  -0.06  -0.08
    54   6    -0.03   0.18  -0.05    -0.07  -0.01  -0.09     0.01  -0.00   0.01
    55   6    -0.01   0.19  -0.05    -0.13  -0.02  -0.09     0.02  -0.01   0.02
    56   6     0.02   0.11  -0.02    -0.15  -0.03  -0.01     0.02  -0.01   0.01
    57   6     0.03   0.03   0.02    -0.10  -0.03   0.06     0.02  -0.01  -0.00
    58   6    -0.05  -0.03   0.04     0.10   0.01   0.09    -0.02   0.00  -0.02
    59   6    -0.08   0.02   0.02     0.14   0.02   0.04    -0.03   0.01  -0.02
    60   6    -0.10   0.10  -0.02     0.13   0.02  -0.04    -0.03   0.02  -0.02
    61   6    -0.09   0.14  -0.03     0.07   0.01  -0.07    -0.02   0.01  -0.01
    62   1     0.02  -0.05  -0.03    -0.00   0.00  -0.09    -0.00   0.01   0.06
    63   1     0.02  -0.06  -0.02    -0.01   0.01  -0.00     0.00  -0.01   0.18
    64   1     0.03  -0.06  -0.02    -0.01   0.01  -0.04     0.00  -0.01   0.22
    65   1     0.02  -0.04  -0.05    -0.00   0.00  -0.10    -0.01   0.00  -0.05
    66   1    -0.01  -0.05  -0.04     0.01   0.01  -0.12    -0.00   0.02  -0.21
    67   1    -0.00  -0.06  -0.02     0.01   0.01  -0.08     0.00   0.02  -0.18
    68   1     0.01  -0.06   0.01    -0.00   0.01   0.01    -0.01  -0.00  -0.03
    69   1     0.02  -0.05   0.01    -0.01  -0.00   0.14    -0.01  -0.00  -0.07
    70   1     0.02  -0.04   0.03    -0.01  -0.01   0.19    -0.01  -0.01  -0.06
    71   1    -0.00  -0.05   0.02     0.01  -0.00   0.14    -0.00  -0.01   0.02
    72   1    -0.06   0.19   0.10    -0.03  -0.01   0.09    -0.03  -0.03   0.06
    73   1    -0.02   0.18   0.08    -0.08  -0.03   0.06    -0.08  -0.08   0.01
    74   1     0.03   0.06   0.00    -0.10  -0.05  -0.03    -0.10  -0.09  -0.09
    75   1     0.04  -0.04  -0.06    -0.06  -0.04  -0.10    -0.06  -0.06  -0.14
    76   1    -0.03  -0.06  -0.06     0.08   0.02  -0.08     0.08   0.06  -0.09
    77   1    -0.08   0.02  -0.00     0.11   0.05  -0.00     0.12   0.11   0.04
    78   1    -0.11   0.14   0.08     0.09   0.05   0.09     0.10   0.10   0.14
    79   1    -0.09   0.18   0.09     0.04   0.02   0.10     0.03   0.04   0.13
    80   1     0.07  -0.01   0.04     0.02  -0.01   0.07    -0.04   0.03  -0.09
    81   1     0.07  -0.01   0.03     0.06  -0.02   0.07    -0.07   0.10  -0.04
    82   1     0.05  -0.04   0.00     0.07  -0.03   0.01    -0.07   0.13   0.08
    83   1     0.03  -0.05  -0.03     0.04  -0.02  -0.05    -0.03   0.09   0.15
    84   1     0.02  -0.05  -0.03    -0.05   0.02  -0.06     0.07  -0.07   0.12
    85   1     0.03  -0.03  -0.01    -0.08   0.04  -0.03     0.08  -0.14  -0.01
    86   1     0.05  -0.01   0.03    -0.06   0.03   0.03     0.05  -0.14  -0.14
    87   1     0.06  -0.01   0.03    -0.03   0.01   0.05     0.01  -0.06  -0.14
    88   1    -0.06   0.24  -0.07    -0.05  -0.00  -0.16     0.00   0.00   0.02
    89   1    -0.01   0.24  -0.08    -0.16  -0.02  -0.14     0.03  -0.01   0.03
    90   1     0.04   0.11  -0.02    -0.19  -0.04  -0.00     0.03  -0.02   0.01
    91   1     0.05  -0.03   0.04    -0.12  -0.04   0.12     0.02  -0.01  -0.01
    92   1    -0.03  -0.10   0.07     0.12   0.00   0.15    -0.02   0.00  -0.02
    93   1    -0.10  -0.01   0.03     0.19   0.03   0.06    -0.04   0.01  -0.03
    94   1    -0.13   0.14  -0.03     0.16   0.03  -0.08    -0.03   0.02  -0.02
    95   1    -0.10   0.20  -0.06     0.06   0.02  -0.13    -0.02   0.01  -0.00
    96  17     0.01  -0.06   0.05    -0.00   0.01  -0.08    -0.01   0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     41.4883                77.2232                81.3103
 Red. masses --      5.5020                 6.5234                 5.4635
 Frc consts  --      0.0056                 0.0229                 0.0213
 IR Inten    --      0.0638                 2.0819                 3.9082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06  -0.02     0.01   0.01  -0.07     0.05   0.00   0.02
     2   6    -0.05  -0.07  -0.02     0.01   0.01  -0.09     0.02   0.01   0.02
     3   6    -0.04  -0.05   0.00     0.01   0.00   0.03    -0.00  -0.01  -0.02
     4   6    -0.04  -0.03   0.02     0.00  -0.00   0.16     0.00  -0.03  -0.04
     5   6    -0.07  -0.02   0.03     0.00   0.00   0.17     0.04  -0.03  -0.05
     6   6    -0.08  -0.04   0.01     0.00   0.01   0.06     0.06  -0.02  -0.02
     7   6    -0.01  -0.06  -0.00    -0.00   0.01   0.03    -0.01  -0.01  -0.01
     8   6     0.01  -0.04   0.01    -0.00   0.00   0.10    -0.01  -0.02   0.06
     9   6     0.00  -0.01   0.02    -0.00  -0.00   0.15    -0.01  -0.04   0.07
    10   6    -0.03  -0.01   0.02     0.00  -0.01   0.20    -0.01  -0.03  -0.02
    11   6     0.00  -0.08  -0.03    -0.01   0.02  -0.04    -0.02   0.00  -0.07
    12   6     0.02  -0.08  -0.04    -0.01   0.02  -0.04    -0.03   0.00  -0.03
    13   6     0.04  -0.06  -0.02    -0.01   0.01   0.02    -0.03  -0.01   0.05
    14   6     0.03  -0.04   0.01    -0.01   0.00   0.09    -0.03  -0.02   0.10
    15   7     0.02   0.01   0.02    -0.01  -0.01   0.10     0.00  -0.03   0.14
    16   6     0.01   0.04   0.01    -0.00  -0.01   0.06     0.00  -0.02   0.11
    17   6    -0.02   0.04   0.01    -0.00  -0.02   0.14    -0.01  -0.01  -0.02
    18   7    -0.03   0.02   0.02     0.00  -0.01   0.23    -0.02  -0.02  -0.08
    19   6     0.03   0.06   0.00    -0.00  -0.01  -0.08     0.02   0.01   0.19
    20   6     0.01   0.08  -0.02     0.00  -0.01  -0.15     0.01   0.04   0.11
    21   6    -0.01   0.09  -0.03     0.00  -0.01  -0.06    -0.01   0.05  -0.03
    22   6    -0.02   0.07  -0.01    -0.00  -0.02   0.08    -0.03   0.03  -0.10
    23   7    -0.08  -0.07  -0.05    -0.01  -0.01  -0.11     0.08   0.03   0.05
    24   7     0.03  -0.09  -0.06    -0.01   0.01  -0.06    -0.03  -0.00  -0.05
    25   7    -0.01   0.10  -0.05    -0.00   0.00  -0.08    -0.03   0.10  -0.07
    26   6    -0.00  -0.05  -0.03     0.01   0.01  -0.04    -0.02   0.00  -0.03
    27   6    -0.02   0.02   0.01     0.01   0.00  -0.02    -0.02  -0.01  -0.02
    28   6    -0.00   0.03   0.02    -0.02  -0.00  -0.02    -0.04  -0.02  -0.01
    29   6     0.03  -0.04  -0.03    -0.03   0.00  -0.04    -0.05  -0.01  -0.03
    30   6    -0.03  -0.05  -0.02    -0.03   0.01  -0.08     0.07   0.01   0.03
    31   6     0.02   0.02   0.01    -0.01   0.01  -0.02     0.03  -0.03  -0.02
    32   6    -0.00   0.04   0.02     0.02  -0.01  -0.02     0.03  -0.03  -0.02
    33   6    -0.06  -0.01  -0.02     0.02  -0.02  -0.08     0.07   0.01   0.03
    34   6     0.02   0.06  -0.03    -0.02  -0.00  -0.06    -0.02   0.06  -0.04
    35   6     0.04  -0.02   0.01    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    36   6     0.02  -0.03   0.01     0.02  -0.00  -0.01     0.00   0.00   0.01
    37   6    -0.01   0.05  -0.03     0.03   0.00  -0.06    -0.02   0.07  -0.04
    38   6    -0.01   0.10   0.06    -0.04  -0.01   0.02    -0.07  -0.03   0.02
    39   6     0.02   0.09   0.05    -0.07  -0.01   0.02    -0.10  -0.02   0.02
    40   6     0.05   0.01  -0.00    -0.08  -0.00  -0.01    -0.11  -0.01  -0.00
    41   6     0.05  -0.05  -0.04    -0.06   0.00  -0.04    -0.09  -0.00  -0.03
    42   6    -0.02  -0.08  -0.05     0.03   0.03  -0.04    -0.01   0.01  -0.03
    43   6    -0.05  -0.03  -0.01     0.05   0.03  -0.02    -0.00   0.01  -0.01
    44   6    -0.07   0.05   0.04     0.05   0.02   0.00    -0.00  -0.00  -0.01
    45   6    -0.06   0.08   0.05     0.03   0.00   0.01    -0.01  -0.01  -0.01
    46   6     0.03   0.10   0.05     0.05  -0.02   0.04     0.01  -0.07  -0.05
    47   6    -0.00   0.11   0.05     0.09  -0.04   0.03     0.03  -0.06  -0.03
    48   6    -0.06   0.05   0.00     0.09  -0.06  -0.03     0.08  -0.00   0.03
    49   6    -0.10  -0.01  -0.03     0.06  -0.05  -0.09     0.10   0.03   0.06
    50   6    -0.03  -0.08  -0.04    -0.05   0.04  -0.08     0.09   0.04   0.06
    51   6     0.03  -0.05  -0.01    -0.06   0.06  -0.04     0.07   0.02   0.03
    52   6     0.08   0.02   0.03    -0.05   0.06   0.01     0.03  -0.03  -0.02
    53   6     0.07   0.05   0.04    -0.03   0.03   0.02     0.01  -0.05  -0.05
    54   6     0.03  -0.10   0.05     0.05  -0.01   0.04     0.01  -0.04   0.04
    55   6     0.00  -0.09   0.04     0.09  -0.01   0.04    -0.01   0.00   0.01
    56   6    -0.03  -0.01  -0.01     0.09   0.01  -0.02    -0.03   0.07  -0.05
    57   6    -0.04   0.06  -0.04     0.07   0.01  -0.06    -0.04   0.11  -0.07
    58   6     0.03   0.09  -0.04    -0.04  -0.01  -0.07    -0.04   0.10  -0.08
    59   6     0.06   0.03  -0.01    -0.06  -0.02  -0.05    -0.03   0.05  -0.03
    60   6     0.08  -0.05   0.03    -0.06  -0.01  -0.01     0.00  -0.04   0.05
    61   6     0.07  -0.08   0.04    -0.03  -0.01  -0.00     0.02  -0.06   0.07
    62   1    -0.05  -0.08  -0.03     0.02   0.02  -0.19     0.01   0.03   0.06
    63   1    -0.07  -0.01   0.04    -0.00  -0.00   0.26     0.05  -0.06  -0.07
    64   1    -0.10  -0.04   0.01    -0.00   0.01   0.06     0.08  -0.02  -0.02
    65   1    -0.01  -0.09  -0.04    -0.01   0.03  -0.09    -0.01   0.02  -0.14
    66   1     0.06  -0.07  -0.02    -0.01   0.02   0.01    -0.04  -0.01   0.07
    67   1     0.05  -0.03   0.02    -0.01  -0.00   0.14    -0.03  -0.03   0.15
    68   1     0.04   0.01   0.01    -0.01  -0.00   0.06     0.01  -0.04   0.12
    69   1     0.05   0.05   0.01    -0.00  -0.00  -0.14     0.05  -0.00   0.27
    70   1     0.03   0.10  -0.03     0.00  -0.01  -0.26     0.03   0.06   0.15
    71   1    -0.05   0.07  -0.02    -0.01  -0.02   0.13    -0.05   0.03  -0.20
    72   1    -0.03   0.15   0.10    -0.03  -0.02   0.04    -0.05  -0.03   0.04
    73   1     0.01   0.14   0.08    -0.08  -0.01   0.04    -0.11  -0.03   0.05
    74   1     0.06   0.01  -0.01    -0.10   0.00  -0.01    -0.13  -0.01  -0.00
    75   1     0.08  -0.11  -0.08    -0.07   0.01  -0.07    -0.10   0.01  -0.06
    76   1    -0.00  -0.14  -0.09     0.03   0.04  -0.06    -0.02   0.02  -0.03
    77   1    -0.06  -0.05  -0.02     0.07   0.05  -0.02     0.01   0.03  -0.01
    78   1    -0.10   0.09   0.07     0.06   0.02   0.02     0.01  -0.00   0.00
    79   1    -0.07   0.14   0.09     0.02  -0.00   0.03    -0.02  -0.02   0.00
    80   1     0.08   0.15   0.08     0.05  -0.01   0.09    -0.03  -0.11  -0.08
    81   1     0.02   0.16   0.07     0.12  -0.05   0.08     0.01  -0.08  -0.05
    82   1    -0.09   0.05  -0.00     0.12  -0.07  -0.04     0.10   0.01   0.05
    83   1    -0.14  -0.06  -0.06     0.06  -0.06  -0.14     0.14   0.07   0.09
    84   1    -0.07  -0.13  -0.07    -0.06   0.04  -0.12     0.12   0.07   0.10
    85   1     0.03  -0.07  -0.02    -0.08   0.08  -0.05     0.09   0.03   0.06
    86   1     0.12   0.05   0.05    -0.06   0.07   0.04     0.01  -0.05  -0.04
    87   1     0.11   0.11   0.07    -0.02   0.03   0.06    -0.02  -0.09  -0.09
    88   1     0.05  -0.15   0.08     0.04  -0.02   0.08     0.03  -0.09   0.08
    89   1     0.01  -0.14   0.06     0.11  -0.02   0.08    -0.00  -0.03   0.03
    90   1    -0.05   0.00  -0.01     0.12   0.01  -0.02    -0.04   0.10  -0.07
    91   1    -0.06   0.12  -0.07     0.08   0.02  -0.11    -0.06   0.16  -0.10
    92   1     0.01   0.15  -0.07    -0.04  -0.02  -0.08    -0.06   0.16  -0.14
    93   1     0.07   0.05  -0.01    -0.08  -0.03  -0.05    -0.04   0.08  -0.05
    94   1     0.11  -0.09   0.06    -0.07  -0.01   0.00     0.01  -0.08   0.09
    95   1     0.09  -0.14   0.07    -0.03  -0.01   0.02     0.04  -0.12   0.13
    96  17     0.08   0.01  -0.00    -0.02  -0.01   0.00     0.02  -0.02  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --     83.5772                94.1560               102.4525
 Red. masses --      5.7027                 4.6062                 5.1928
 Frc consts  --      0.0235                 0.0241                 0.0321
 IR Inten    --      4.4775                 0.8995                 3.2608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.01    -0.02  -0.03   0.01    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.06     0.00  -0.03   0.01    -0.01   0.01  -0.06
     3   6    -0.00   0.02   0.03     0.02  -0.01  -0.00    -0.01   0.00  -0.08
     4   6    -0.00   0.03  -0.02     0.01  -0.00  -0.01    -0.01   0.00  -0.04
     5   6    -0.02   0.04  -0.06    -0.01   0.00  -0.01    -0.01  -0.00   0.02
     6   6    -0.03   0.03  -0.05    -0.02  -0.01   0.00    -0.01  -0.00   0.05
     7   6     0.00   0.02   0.04     0.02  -0.00  -0.01    -0.02  -0.00  -0.07
     8   6     0.01   0.03   0.09     0.01  -0.01   0.00    -0.01  -0.00   0.03
     9   6     0.00   0.03   0.09     0.01  -0.01   0.02    -0.00   0.00  -0.01
    10   6     0.01   0.04  -0.00     0.01  -0.00  -0.02    -0.00   0.01  -0.03
    11   6     0.01  -0.00  -0.03     0.01   0.02  -0.01    -0.02  -0.00  -0.12
    12   6     0.05  -0.01  -0.03    -0.01   0.03  -0.01    -0.03  -0.01  -0.01
    13   6     0.06   0.00   0.04    -0.02   0.02  -0.01    -0.02  -0.01   0.16
    14   6     0.05   0.02   0.10    -0.01  -0.01   0.00    -0.02  -0.01   0.17
    15   7    -0.01   0.02   0.14     0.02  -0.01   0.05     0.01   0.02  -0.04
    16   6    -0.01   0.00   0.10     0.02  -0.01   0.04     0.01   0.02  -0.05
    17   6     0.01   0.01  -0.04     0.02  -0.00  -0.02     0.01   0.02  -0.03
    18   7     0.02   0.03  -0.08     0.02  -0.00  -0.05     0.00   0.01  -0.03
    19   6    -0.03  -0.03   0.16     0.02  -0.01   0.09     0.01   0.03  -0.08
    20   6    -0.02  -0.05   0.09     0.02  -0.00   0.06     0.01   0.02  -0.05
    21   6    -0.00  -0.06  -0.04     0.02  -0.00  -0.01     0.02   0.02  -0.00
    22   6     0.02  -0.02  -0.11     0.02  -0.00  -0.05     0.02   0.02   0.01
    23   7    -0.04   0.02   0.02    -0.04  -0.06   0.00    -0.01   0.01   0.02
    24   7     0.06  -0.05  -0.07    -0.02   0.06  -0.00    -0.03  -0.02  -0.04
    25   7     0.00  -0.07  -0.04     0.03   0.00  -0.02     0.04  -0.01   0.02
    26   6     0.07  -0.03  -0.05    -0.01   0.06  -0.01    -0.04  -0.02  -0.02
    27   6     0.05   0.02   0.01     0.01  -0.02  -0.07    -0.04  -0.02  -0.02
    28   6     0.04   0.02   0.01    -0.00  -0.03  -0.07    -0.05  -0.02  -0.01
    29   6     0.06  -0.03  -0.05    -0.03   0.05  -0.01    -0.05  -0.02  -0.03
    30   6    -0.03   0.02   0.01    -0.02  -0.05   0.01    -0.01   0.01   0.01
    31   6    -0.03   0.03   0.01     0.03   0.01   0.06    -0.02  -0.01  -0.01
    32   6    -0.04   0.04   0.01     0.02   0.02   0.06    -0.02  -0.00  -0.01
    33   6    -0.05   0.03   0.01    -0.04  -0.04   0.01    -0.01   0.01   0.01
    34   6    -0.03  -0.06  -0.03     0.02   0.00  -0.02     0.05   0.00   0.01
    35   6    -0.04  -0.01  -0.04     0.02   0.01  -0.01     0.03   0.06  -0.05
    36   6    -0.01   0.01  -0.04     0.03   0.02  -0.02     0.02   0.06  -0.05
    37   6     0.02  -0.05  -0.03     0.03   0.01  -0.02     0.04  -0.00   0.01
    38   6     0.03   0.06   0.06    -0.01  -0.06  -0.07    -0.08  -0.02   0.04
    39   6     0.03   0.04   0.03    -0.06   0.01  -0.00    -0.11  -0.02   0.04
    40   6     0.05  -0.03  -0.04    -0.09   0.10   0.07    -0.11  -0.03   0.00
    41   6     0.07  -0.06  -0.08    -0.08   0.12   0.06    -0.09  -0.03  -0.04
    42   6     0.09  -0.05  -0.08    -0.01   0.14   0.06    -0.06  -0.02  -0.01
    43   6     0.09  -0.03  -0.05     0.01   0.14   0.07    -0.07  -0.02  -0.01
    44   6     0.07   0.02   0.02     0.03   0.03  -0.00    -0.06  -0.02  -0.02
    45   6     0.05   0.05   0.05     0.04  -0.05  -0.07    -0.05  -0.02  -0.02
    46   6    -0.04   0.05  -0.01     0.03   0.05   0.07    -0.03   0.00  -0.02
    47   6    -0.07   0.06  -0.01    -0.04   0.01   0.01    -0.01   0.03   0.01
    48   6    -0.08   0.05  -0.00    -0.11  -0.06  -0.06     0.00   0.05   0.04
    49   6    -0.07   0.04   0.01    -0.11  -0.08  -0.05     0.00   0.04   0.04
    50   6    -0.04   0.02   0.01    -0.06  -0.13  -0.05     0.02   0.03   0.04
    51   6    -0.04   0.02   0.01    -0.04  -0.13  -0.06     0.02   0.02   0.03
    52   6    -0.03   0.03   0.01     0.03  -0.05   0.00    -0.00  -0.00  -0.00
    53   6    -0.03   0.03   0.01     0.06   0.02   0.06    -0.02  -0.02  -0.03
    54   6    -0.00   0.05  -0.05     0.03   0.03  -0.01     0.02   0.08  -0.05
    55   6     0.03   0.02  -0.02     0.05   0.02  -0.00     0.06  -0.00   0.02
    56   6     0.07  -0.05   0.00     0.06  -0.00   0.00     0.09  -0.09   0.09
    57   6     0.06  -0.09  -0.00     0.05  -0.01  -0.00     0.08  -0.08   0.07
    58   6    -0.05  -0.13  -0.01     0.02  -0.02  -0.01     0.09  -0.08   0.08
    59   6    -0.09  -0.13   0.02     0.01  -0.03   0.01     0.10  -0.09   0.08
    60   6    -0.10  -0.06   0.01     0.01  -0.02   0.01     0.07  -0.01   0.00
    61   6    -0.08   0.01  -0.02     0.02   0.00   0.00     0.04   0.07  -0.07
    62   1    -0.01  -0.00   0.11     0.01  -0.04   0.00    -0.01   0.01  -0.07
    63   1    -0.02   0.06  -0.10    -0.01   0.02  -0.01    -0.01  -0.01   0.06
    64   1    -0.03   0.03  -0.08    -0.04  -0.01   0.00    -0.01  -0.01   0.10
    65   1    -0.00  -0.02  -0.09     0.02   0.03  -0.01    -0.02   0.02  -0.23
    66   1     0.08   0.00   0.03    -0.04   0.02  -0.00    -0.00  -0.02   0.25
    67   1     0.06   0.03   0.14    -0.02  -0.02   0.01    -0.02  -0.02   0.28
    68   1    -0.02   0.03   0.13     0.01  -0.01   0.05     0.03   0.01  -0.04
    69   1    -0.06  -0.02   0.24     0.02  -0.01   0.14     0.01   0.03  -0.10
    70   1    -0.03  -0.06   0.13     0.02  -0.00   0.09     0.01   0.01  -0.05
    71   1     0.06  -0.03  -0.20     0.02  -0.00  -0.10     0.02   0.02   0.04
    72   1     0.01   0.10   0.10     0.02  -0.13  -0.12    -0.07  -0.02   0.07
    73   1     0.02   0.06   0.06    -0.06  -0.01   0.00    -0.13  -0.01   0.07
    74   1     0.06  -0.05  -0.06    -0.13   0.16   0.14    -0.13  -0.03   0.00
    75   1     0.08  -0.11  -0.13    -0.11   0.20   0.11    -0.10  -0.03  -0.07
    76   1     0.10  -0.09  -0.12    -0.03   0.22   0.12    -0.06  -0.02   0.01
    77   1     0.10  -0.05  -0.07    -0.00   0.21   0.14    -0.07  -0.01  -0.01
    78   1     0.06   0.04   0.04     0.05   0.03   0.00    -0.07  -0.02  -0.03
    79   1     0.03   0.08   0.10     0.05  -0.12  -0.12    -0.05  -0.01  -0.03
    80   1    -0.03   0.06  -0.02     0.08   0.10   0.11    -0.04  -0.01  -0.04
    81   1    -0.07   0.06  -0.02    -0.04   0.03   0.00    -0.01   0.04   0.01
    82   1    -0.09   0.05  -0.00    -0.17  -0.11  -0.11     0.01   0.07   0.06
    83   1    -0.08   0.03   0.02    -0.17  -0.14  -0.10     0.01   0.05   0.05
    84   1    -0.05   0.01  -0.00    -0.11  -0.19  -0.10     0.04   0.04   0.07
    85   1    -0.04   0.01   0.00    -0.07  -0.19  -0.12     0.04   0.04   0.06
    86   1    -0.03   0.03   0.01     0.05  -0.05  -0.00    -0.00  -0.01  -0.01
    87   1    -0.02   0.04   0.02     0.11   0.08   0.10    -0.04  -0.03  -0.05
    88   1    -0.03   0.10  -0.06     0.02   0.05  -0.01     0.00   0.13  -0.09
    89   1     0.04   0.05  -0.02     0.05   0.03  -0.00     0.06  -0.01   0.03
    90   1     0.10  -0.08   0.03     0.07  -0.02   0.01     0.11  -0.16   0.14
    91   1     0.08  -0.15   0.03     0.06  -0.03   0.00     0.10  -0.15   0.11
    92   1    -0.05  -0.19  -0.02     0.02  -0.02  -0.01     0.11  -0.13   0.14
    93   1    -0.10  -0.18   0.04     0.01  -0.05   0.02     0.13  -0.16   0.14
    94   1    -0.13  -0.06   0.03     0.01  -0.03   0.03     0.08  -0.01   0.00
    95   1    -0.08   0.06  -0.01     0.02   0.01   0.00     0.02   0.12  -0.12
    96  17    -0.01   0.00  -0.04     0.01   0.00  -0.01     0.10   0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    108.4992               110.0915               112.7728
 Red. masses --      6.0542                 4.9244                 4.9369
 Frc consts  --      0.0420                 0.0352                 0.0370
 IR Inten    --      1.6358                 2.7929                 4.0763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.02     0.01   0.01   0.01     0.01  -0.00  -0.00
     2   6    -0.02  -0.02  -0.01     0.01   0.02  -0.13     0.01   0.01  -0.12
     3   6    -0.01  -0.02   0.02     0.01   0.02  -0.12     0.00   0.01  -0.06
     4   6    -0.02  -0.01   0.02     0.01   0.02  -0.01    -0.00   0.01   0.04
     5   6    -0.02  -0.01   0.02     0.00   0.01   0.14    -0.00   0.00   0.19
     6   6    -0.03  -0.01   0.00    -0.00   0.01   0.16    -0.00  -0.00   0.18
     7   6     0.00  -0.02   0.01     0.01   0.02  -0.12     0.00   0.01  -0.07
     8   6     0.00  -0.02  -0.03     0.01   0.02   0.00    -0.00   0.01  -0.10
     9   6    -0.01  -0.01  -0.01     0.00   0.02  -0.03    -0.00   0.01  -0.04
    10   6    -0.02  -0.01   0.02     0.00   0.02  -0.04    -0.01   0.01  -0.01
    11   6     0.01  -0.03   0.04     0.02   0.02  -0.14     0.00   0.01  -0.00
    12   6     0.03  -0.03  -0.02     0.03   0.01  -0.00    -0.01   0.01   0.02
    13   6     0.02  -0.02  -0.08     0.04  -0.00   0.17    -0.01   0.01  -0.05
    14   6     0.02  -0.02  -0.08     0.03   0.01   0.17    -0.01   0.01  -0.11
    15   7    -0.01  -0.01   0.00    -0.01   0.01  -0.05     0.00   0.01   0.01
    16   6    -0.01  -0.00   0.01    -0.01   0.00  -0.05    -0.00   0.02   0.05
    17   6    -0.02  -0.00   0.01    -0.01   0.00  -0.05    -0.01   0.02  -0.03
    18   7    -0.02  -0.00   0.02     0.00   0.01  -0.06    -0.01   0.02  -0.04
    19   6    -0.01  -0.01   0.03    -0.02  -0.01  -0.04     0.00   0.02   0.15
    20   6    -0.02  -0.00   0.02    -0.02  -0.02   0.00    -0.00   0.03   0.12
    21   6    -0.03  -0.00  -0.01    -0.02  -0.03   0.02    -0.01   0.04  -0.03
    22   6    -0.03   0.00  -0.01    -0.01  -0.01  -0.03    -0.01   0.03  -0.09
    23   7    -0.03  -0.02  -0.05     0.00   0.00   0.01    -0.00  -0.02  -0.04
    24   7     0.03  -0.02  -0.02     0.04  -0.00  -0.01    -0.02   0.04   0.09
    25   7    -0.04   0.00  -0.02    -0.03  -0.05   0.05    -0.02   0.06  -0.07
    26   6     0.03  -0.01  -0.02     0.05   0.00  -0.01    -0.02   0.02   0.07
    27   6     0.04  -0.06  -0.07     0.05  -0.01  -0.02    -0.02   0.04   0.06
    28   6     0.05  -0.06  -0.08     0.05   0.00  -0.01    -0.01   0.04   0.06
    29   6     0.04  -0.01  -0.02     0.05  -0.00  -0.01    -0.00   0.03   0.07
    30   6    -0.03  -0.01  -0.04     0.01  -0.00   0.02     0.00  -0.01  -0.02
    31   6    -0.06  -0.04  -0.08     0.01   0.01   0.02     0.00  -0.01  -0.02
    32   6    -0.05  -0.05  -0.08     0.02   0.01   0.03     0.01  -0.01  -0.01
    33   6    -0.02  -0.01  -0.04     0.00  -0.00   0.01     0.01  -0.02  -0.03
    34   6    -0.05  -0.01  -0.02    -0.03  -0.04   0.04    -0.02   0.05  -0.06
    35   6    -0.06   0.01  -0.03    -0.03  -0.06   0.05    -0.02   0.06  -0.06
    36   6    -0.05   0.01  -0.03    -0.03  -0.07   0.05    -0.02   0.07  -0.07
    37   6    -0.05  -0.00  -0.02    -0.04  -0.04   0.04    -0.01   0.04  -0.05
    38   6     0.05  -0.03  -0.07     0.04   0.04   0.02     0.01   0.01   0.01
    39   6     0.04   0.06   0.03     0.03   0.06   0.05     0.05  -0.03  -0.04
    40   6     0.02   0.13   0.11     0.04   0.04   0.02     0.06  -0.05  -0.03
    41   6     0.02   0.08   0.08     0.05   0.00  -0.01     0.03  -0.01   0.03
    42   6     0.00   0.08   0.07     0.04   0.03   0.02    -0.02  -0.03   0.03
    43   6    -0.00   0.12   0.11     0.04   0.02   0.02    -0.02  -0.07  -0.03
    44   6     0.02   0.05   0.05     0.05  -0.01  -0.02    -0.03  -0.05  -0.03
    45   6     0.04  -0.04  -0.05     0.06  -0.02  -0.03    -0.03   0.01   0.02
    46   6    -0.03  -0.03  -0.05     0.02   0.01   0.04     0.04  -0.01   0.03
    47   6     0.04   0.04   0.04     0.01  -0.01   0.02     0.06  -0.02   0.03
    48   6     0.08   0.08   0.08    -0.01  -0.04  -0.02     0.06  -0.04  -0.01
    49   6     0.05   0.05   0.04    -0.01  -0.03  -0.02     0.03  -0.04  -0.04
    50   6     0.03   0.07   0.04     0.01  -0.03   0.00     0.01  -0.01  -0.01
    51   6     0.05   0.11   0.08    -0.00  -0.05  -0.03     0.02  -0.01  -0.01
    52   6     0.01   0.06   0.04    -0.00  -0.04  -0.03     0.01  -0.02  -0.02
    53   6    -0.05  -0.02  -0.05     0.01  -0.01  -0.01     0.01  -0.01  -0.02
    54   6    -0.05  -0.01  -0.02    -0.05  -0.06   0.01    -0.01   0.04  -0.04
    55   6    -0.05  -0.05   0.01    -0.10  -0.00  -0.04     0.01  -0.04   0.02
    56   6    -0.05  -0.06   0.02    -0.12   0.04  -0.05     0.03  -0.08   0.05
    57   6    -0.05  -0.04   0.01    -0.09   0.02  -0.00     0.01  -0.03   0.01
    58   6    -0.06  -0.05  -0.00    -0.06   0.02  -0.01    -0.02  -0.03  -0.01
    59   6    -0.07  -0.06   0.02    -0.07   0.06  -0.04    -0.01  -0.09   0.06
    60   6    -0.07  -0.04   0.02    -0.07   0.03  -0.02    -0.01  -0.08   0.06
    61   6    -0.07   0.00  -0.01    -0.04  -0.03   0.03    -0.02   0.01  -0.00
    62   1    -0.02  -0.02  -0.02     0.01   0.03  -0.22     0.01   0.02  -0.25
    63   1    -0.02  -0.01   0.04     0.00   0.01   0.24    -0.00  -0.01   0.30
    64   1    -0.03  -0.01  -0.00    -0.01   0.00   0.28    -0.02  -0.01   0.29
    65   1     0.01  -0.04   0.09     0.01   0.02  -0.24     0.01   0.02   0.06
    66   1     0.02  -0.02  -0.11     0.05  -0.01   0.30    -0.02   0.01  -0.04
    67   1     0.03  -0.01  -0.12     0.03   0.00   0.29    -0.01   0.01  -0.15
    68   1     0.02  -0.01   0.00    -0.01   0.02  -0.05    -0.00   0.01   0.01
    69   1    -0.02  -0.01   0.04    -0.04  -0.01  -0.04     0.01   0.02   0.24
    70   1    -0.01   0.00   0.03    -0.03  -0.03   0.03     0.01   0.04   0.19
    71   1    -0.02   0.00  -0.02     0.01  -0.01  -0.03    -0.01   0.04  -0.17
    72   1     0.06  -0.07  -0.13     0.03   0.05   0.03     0.01   0.02  -0.01
    73   1     0.03   0.09   0.05     0.02   0.09   0.08     0.07  -0.07  -0.10
    74   1    -0.00   0.21   0.19     0.03   0.05   0.03     0.09  -0.09  -0.07
    75   1     0.01   0.13   0.14     0.05  -0.01  -0.03     0.04  -0.03   0.04
    76   1    -0.01   0.13   0.10     0.02   0.06   0.05    -0.02  -0.06   0.02
    77   1    -0.03   0.20   0.19     0.03   0.04   0.04    -0.02  -0.12  -0.08
    78   1     0.01   0.08   0.08     0.05  -0.02  -0.03    -0.03  -0.08  -0.08
    79   1     0.05  -0.09  -0.08     0.06  -0.04  -0.05    -0.03   0.02   0.01
    80   1    -0.06  -0.06  -0.07     0.03   0.03   0.06     0.04  -0.01   0.07
    81   1     0.06   0.06   0.07     0.02  -0.01   0.02     0.09  -0.02   0.07
    82   1     0.14   0.14   0.15    -0.03  -0.06  -0.04     0.07  -0.05  -0.01
    83   1     0.08   0.09   0.07    -0.02  -0.05  -0.05     0.03  -0.05  -0.08
    84   1     0.06   0.11   0.07     0.00  -0.04   0.02     0.02  -0.01   0.00
    85   1     0.10   0.17   0.15    -0.01  -0.07  -0.04     0.02  -0.00  -0.01
    86   1     0.03   0.08   0.07    -0.01  -0.06  -0.06     0.01  -0.02  -0.02
    87   1    -0.07  -0.05  -0.07     0.01   0.00  -0.02     0.01  -0.01  -0.03
    88   1    -0.05  -0.01  -0.04    -0.04  -0.09   0.01    -0.02   0.06  -0.06
    89   1    -0.05  -0.07   0.02    -0.12   0.02  -0.07     0.02  -0.07   0.05
    90   1    -0.04  -0.09   0.04    -0.15   0.09  -0.09     0.05  -0.15   0.11
    91   1    -0.05  -0.05   0.02    -0.11   0.06  -0.01     0.02  -0.07   0.04
    92   1    -0.06  -0.08  -0.00    -0.06   0.04  -0.03    -0.01  -0.05  -0.01
    93   1    -0.07  -0.10   0.05    -0.09   0.12  -0.09     0.00  -0.16   0.11
    94   1    -0.08  -0.05   0.03    -0.08   0.07  -0.05    -0.00  -0.13   0.11
    95   1    -0.07   0.03  -0.00    -0.04  -0.04   0.05    -0.02   0.02   0.00
    96  17     0.20   0.01   0.00     0.02   0.00   0.01    -0.03   0.03  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    115.6126               121.9889               134.0867
 Red. masses --      7.9129                 6.2892                 5.9260
 Frc consts  --      0.0623                 0.0551                 0.0628
 IR Inten    --      3.9435                 1.4937                 0.0073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04   0.03    -0.03   0.00  -0.01    -0.03  -0.05  -0.02
     2   6     0.02   0.04   0.07    -0.00  -0.00  -0.04     0.00  -0.05   0.04
     3   6     0.00   0.02   0.05     0.01   0.00  -0.02     0.02  -0.01   0.04
     4   6     0.01   0.01   0.01     0.01   0.00   0.01     0.01   0.01  -0.01
     5   6     0.04   0.01  -0.05    -0.02   0.01   0.07    -0.02   0.02  -0.05
     6   6     0.06   0.02  -0.05    -0.03   0.00   0.06    -0.04  -0.01  -0.06
     7   6    -0.01   0.02   0.05     0.01   0.00  -0.03     0.02   0.00   0.05
     8   6    -0.02   0.01   0.02     0.00  -0.00  -0.05     0.01  -0.00   0.07
     9   6    -0.01   0.00   0.02     0.01  -0.00  -0.01     0.00   0.00   0.03
    10   6    -0.01  -0.00   0.02     0.02  -0.00  -0.01     0.00   0.01  -0.00
    11   6    -0.01   0.03   0.06    -0.00   0.02   0.00     0.01   0.05   0.03
    12   6    -0.02   0.04   0.02    -0.03   0.02   0.01    -0.01   0.07   0.02
    13   6    -0.03   0.03  -0.04    -0.03   0.02  -0.04    -0.03   0.04   0.05
    14   6    -0.02   0.02  -0.03    -0.02   0.00  -0.07    -0.02   0.00   0.09
    15   7    -0.02   0.00  -0.00     0.01  -0.01   0.02     0.00   0.01  -0.00
    16   6    -0.02   0.00  -0.01     0.02  -0.03   0.05     0.00   0.01  -0.04
    17   6    -0.02   0.00   0.02     0.03  -0.03  -0.01    -0.00   0.01  -0.03
    18   7    -0.01  -0.00   0.04     0.03  -0.02  -0.02     0.00   0.01  -0.03
    19   6    -0.02   0.00  -0.04     0.01  -0.05   0.10    -0.00   0.01  -0.06
    20   6    -0.02   0.01  -0.04     0.02  -0.07   0.08    -0.00   0.01  -0.04
    21   6    -0.03   0.00  -0.00     0.04  -0.07   0.02    -0.01   0.01  -0.00
    22   6    -0.03   0.00   0.03     0.05  -0.06  -0.03    -0.00   0.01  -0.02
    23   7     0.08   0.06   0.06    -0.06  -0.01  -0.03    -0.07  -0.12  -0.06
    24   7    -0.03   0.04   0.03    -0.04   0.05   0.06    -0.02   0.12   0.03
    25   7    -0.04   0.00  -0.01     0.06  -0.10   0.04    -0.01   0.00   0.02
    26   6    -0.02   0.03   0.02    -0.05   0.03   0.05    -0.00   0.12   0.03
    27   6    -0.03   0.06   0.05    -0.05   0.04   0.05    -0.00   0.11   0.06
    28   6    -0.04   0.05   0.05    -0.05   0.04   0.05    -0.03   0.11   0.06
    29   6    -0.03   0.03   0.02    -0.05   0.04   0.05    -0.03   0.11   0.03
    30   6     0.06   0.05   0.05    -0.06   0.00  -0.03    -0.05  -0.12  -0.06
    31   6     0.09   0.07   0.09    -0.06  -0.00  -0.03    -0.04  -0.11  -0.07
    32   6     0.09   0.06   0.09    -0.06   0.00  -0.03    -0.06  -0.10  -0.07
    33   6     0.07   0.04   0.05    -0.06  -0.00  -0.03    -0.06  -0.10  -0.05
    34   6    -0.05  -0.00  -0.01     0.05  -0.09   0.03    -0.01   0.00   0.02
    35   6    -0.05   0.01  -0.02     0.06  -0.11   0.07    -0.02   0.01   0.00
    36   6    -0.05   0.00  -0.02     0.08  -0.10   0.07    -0.02   0.00   0.00
    37   6    -0.05  -0.00  -0.01     0.08  -0.09   0.04    -0.02   0.00   0.01
    38   6    -0.03   0.01   0.02    -0.04  -0.02   0.01    -0.02   0.05   0.02
    39   6    -0.02  -0.06  -0.05    -0.03  -0.07  -0.05    -0.01  -0.04  -0.07
    40   6    -0.02  -0.07  -0.08    -0.03  -0.06  -0.04    -0.02  -0.05  -0.11
    41   6    -0.03  -0.02  -0.03    -0.04   0.00   0.01    -0.03   0.04  -0.05
    42   6     0.00  -0.02  -0.04    -0.04  -0.02   0.00     0.06   0.09  -0.04
    43   6     0.02  -0.06  -0.08    -0.04  -0.06  -0.05     0.13   0.00  -0.10
    44   6     0.00  -0.03  -0.03    -0.04  -0.04  -0.04     0.13  -0.03  -0.08
    45   6    -0.02   0.04   0.04    -0.05   0.01   0.01     0.06   0.03   0.02
    46   6     0.05   0.00   0.04    -0.03   0.05  -0.00    -0.02  -0.06  -0.02
    47   6    -0.02  -0.09  -0.08    -0.02   0.09   0.04     0.04   0.01   0.07
    48   6    -0.05  -0.12  -0.12    -0.03   0.07   0.03     0.05   0.02   0.09
    49   6     0.01  -0.05  -0.04    -0.06   0.03  -0.00    -0.01  -0.04   0.02
    50   6    -0.02  -0.04  -0.05    -0.04   0.04   0.01     0.01  -0.12  -0.00
    51   6    -0.07  -0.09  -0.12    -0.03   0.06   0.04     0.12  -0.04   0.08
    52   6    -0.03  -0.05  -0.06    -0.04   0.05   0.02     0.15   0.00   0.09
    53   6     0.06   0.04   0.05    -0.06   0.01  -0.01     0.06  -0.04  -0.00
    54   6    -0.06  -0.03  -0.01     0.07   0.00   0.03    -0.03  -0.02  -0.00
    55   6    -0.07  -0.06   0.01     0.06   0.13  -0.08    -0.04  -0.03   0.01
    56   6    -0.07  -0.05   0.02     0.07   0.13  -0.11    -0.05  -0.02   0.01
    57   6    -0.07  -0.02   0.01     0.08   0.01  -0.04    -0.05   0.00   0.02
    58   6    -0.05  -0.04   0.01     0.01   0.02  -0.06    -0.01  -0.01   0.03
    59   6    -0.06  -0.04   0.02    -0.03   0.09  -0.12    -0.01  -0.01   0.02
    60   6    -0.07  -0.02   0.01    -0.01   0.05  -0.06    -0.02   0.01   0.00
    61   6    -0.06   0.01  -0.01     0.04  -0.07   0.04    -0.02   0.02  -0.01
    62   1     0.02   0.06   0.11     0.00  -0.02  -0.09     0.01  -0.07   0.07
    63   1     0.05  -0.02  -0.10    -0.02   0.03   0.11    -0.02   0.04  -0.09
    64   1     0.08   0.02  -0.10    -0.04   0.00   0.10    -0.07  -0.00  -0.11
    65   1    -0.01   0.04   0.08     0.01   0.02   0.04     0.02   0.06   0.01
    66   1    -0.04   0.04  -0.08    -0.04   0.02  -0.04    -0.06   0.04   0.05
    67   1    -0.02   0.02  -0.06    -0.03  -0.00  -0.10    -0.04  -0.02   0.11
    68   1     0.02  -0.00  -0.00     0.02  -0.01   0.03     0.00   0.01  -0.00
    69   1    -0.02   0.00  -0.06    -0.01  -0.04   0.14    -0.00   0.01  -0.07
    70   1    -0.02   0.01  -0.06     0.01  -0.09   0.11    -0.00   0.01  -0.04
    71   1    -0.03   0.00   0.05     0.07  -0.06  -0.07    -0.00   0.01  -0.00
    72   1    -0.03   0.02   0.04    -0.03  -0.03   0.01    -0.02   0.04   0.04
    73   1    -0.01  -0.10  -0.08    -0.01  -0.12  -0.09    -0.00  -0.11  -0.12
    74   1    -0.01  -0.13  -0.13    -0.02  -0.10  -0.08    -0.01  -0.12  -0.18
    75   1    -0.02  -0.04  -0.05    -0.05   0.01   0.01    -0.03   0.03  -0.07
    76   1     0.01  -0.05  -0.07    -0.04  -0.04   0.00     0.06   0.12  -0.06
    77   1     0.04  -0.11  -0.13    -0.03  -0.10  -0.09     0.17  -0.05  -0.17
    78   1     0.02  -0.05  -0.05    -0.04  -0.07  -0.08     0.17  -0.11  -0.14
    79   1    -0.03   0.05   0.06    -0.05   0.03   0.00     0.06  -0.00   0.04
    80   1     0.06   0.02   0.06    -0.02   0.06  -0.01    -0.02  -0.07  -0.02
    81   1    -0.07  -0.15  -0.14     0.01   0.12   0.07     0.08   0.06   0.12
    82   1    -0.11  -0.20  -0.21    -0.02   0.10   0.06     0.10   0.08   0.16
    83   1    -0.01  -0.07  -0.08    -0.07   0.02  -0.00     0.01  -0.02   0.04
    84   1    -0.05  -0.07  -0.10    -0.02   0.06   0.02    -0.01  -0.15   0.00
    85   1    -0.15  -0.17  -0.21    -0.01   0.10   0.07     0.18  -0.01   0.14
    86   1    -0.07  -0.09  -0.10    -0.04   0.06   0.04     0.24   0.07   0.16
    87   1     0.08   0.06   0.09    -0.07  -0.01  -0.01     0.08   0.00  -0.01
    88   1    -0.05  -0.04  -0.03     0.06   0.01   0.05    -0.02  -0.03  -0.02
    89   1    -0.06  -0.08   0.02     0.04   0.23  -0.14    -0.05  -0.05   0.00
    90   1    -0.07  -0.07   0.03     0.06   0.23  -0.19    -0.06  -0.03   0.02
    91   1    -0.07  -0.02   0.02     0.09   0.01  -0.06    -0.05   0.01   0.02
    92   1    -0.05  -0.06   0.02    -0.01   0.06  -0.10    -0.00  -0.03   0.04
    93   1    -0.06  -0.07   0.04    -0.07   0.19  -0.20    -0.00  -0.01   0.03
    94   1    -0.07  -0.02   0.01    -0.03   0.10  -0.10    -0.02   0.02  -0.01
    95   1    -0.07   0.03  -0.01     0.05  -0.09   0.07    -0.02   0.03  -0.02
    96  17     0.30   0.05   0.01     0.15   0.00  -0.00     0.01   0.02   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    140.3898               150.5615               152.3331
 Red. masses --      6.6426                 5.5450                 3.7338
 Frc consts  --      0.0771                 0.0741                 0.0510
 IR Inten    --      0.0769                 5.1240                 3.3623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.01   0.00  -0.01    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.10    -0.01   0.01  -0.05    -0.01   0.00   0.01
     3   6     0.00  -0.00  -0.16    -0.00   0.02  -0.07    -0.01  -0.00   0.01
     4   6     0.00  -0.02  -0.13    -0.01   0.05  -0.05    -0.01  -0.00   0.02
     5   6    -0.00  -0.02  -0.13    -0.01   0.05  -0.05    -0.00  -0.00   0.01
     6   6    -0.00  -0.02  -0.07    -0.02   0.03  -0.02    -0.00  -0.00   0.00
     7   6     0.02  -0.00  -0.15    -0.01   0.03  -0.07    -0.01  -0.00  -0.00
     8   6     0.01  -0.02  -0.10     0.00   0.05  -0.06    -0.01  -0.00  -0.02
     9   6     0.00  -0.04  -0.03    -0.00   0.07  -0.01    -0.01  -0.00  -0.01
    10   6    -0.00  -0.04  -0.01     0.00   0.06  -0.00    -0.01  -0.01   0.01
    11   6     0.02   0.01  -0.13    -0.01   0.01  -0.05    -0.01  -0.00  -0.01
    12   6     0.01   0.01  -0.01     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    13   6    -0.01  -0.01   0.03     0.02   0.02  -0.01    -0.01  -0.00  -0.01
    14   6    -0.01  -0.03  -0.03     0.02   0.04  -0.05    -0.01  -0.00  -0.02
    15   7     0.00  -0.05   0.05    -0.01   0.07   0.05    -0.01  -0.00  -0.02
    16   6     0.00  -0.05   0.11    -0.01   0.06   0.08    -0.01  -0.00  -0.01
    17   6    -0.01  -0.05   0.18     0.01   0.06   0.09    -0.01  -0.01   0.01
    18   7    -0.01  -0.05   0.15     0.01   0.06   0.07    -0.01  -0.01   0.03
    19   6     0.02  -0.03   0.02    -0.03   0.03   0.05    -0.01  -0.00  -0.01
    20   6     0.02  -0.01  -0.05    -0.02   0.00   0.00    -0.01  -0.00   0.00
    21   6    -0.00  -0.01   0.02     0.00  -0.01   0.01    -0.01  -0.00   0.00
    22   6    -0.02  -0.04   0.18     0.02   0.02   0.07    -0.01  -0.00   0.01
    23   7    -0.00   0.02   0.07    -0.01  -0.02   0.02     0.00   0.01  -0.00
    24   7    -0.00   0.06   0.07     0.01  -0.04   0.01    -0.00  -0.00   0.00
    25   7    -0.02   0.05  -0.08     0.01  -0.04  -0.01    -0.01  -0.00  -0.00
    26   6     0.00   0.07   0.08    -0.01  -0.05   0.00    -0.01   0.03   0.03
    27   6     0.01   0.04   0.04    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00
    28   6     0.01   0.06   0.05     0.01  -0.04  -0.01    -0.00   0.00   0.01
    29   6     0.02   0.05   0.05     0.01  -0.04   0.01     0.01  -0.03  -0.03
    30   6    -0.00   0.02   0.06    -0.02  -0.06  -0.01    -0.02  -0.01  -0.02
    31   6    -0.01   0.01   0.03     0.01  -0.02   0.01     0.00   0.01   0.01
    32   6    -0.02   0.02   0.03    -0.01  -0.03  -0.00    -0.00   0.00  -0.00
    33   6    -0.03   0.02   0.06     0.02   0.00   0.04     0.02   0.03   0.02
    34   6    -0.02   0.03  -0.05     0.01  -0.07   0.01    -0.01   0.04  -0.03
    35   6    -0.02   0.04  -0.05     0.00  -0.04   0.00    -0.00  -0.01   0.00
    36   6    -0.01   0.03  -0.04     0.02  -0.05   0.01    -0.01   0.01  -0.01
    37   6    -0.01   0.06  -0.08     0.01  -0.02  -0.03     0.01  -0.04   0.03
    38   6     0.02   0.07   0.03     0.00  -0.03   0.00    -0.02   0.08   0.07
    39   6     0.05   0.03  -0.01    -0.00  -0.01   0.03    -0.01   0.07   0.06
    40   6     0.07  -0.01  -0.03    -0.01  -0.00   0.04     0.03  -0.03  -0.03
    41   6     0.05  -0.00  -0.00    -0.00  -0.02   0.03     0.04  -0.08  -0.07
    42   6     0.01   0.08   0.08    -0.04  -0.06   0.02    -0.02   0.08   0.08
    43   6     0.04   0.00   0.00    -0.08  -0.03   0.03    -0.00   0.03   0.04
    44   6     0.07  -0.08  -0.08    -0.08   0.00   0.02     0.03  -0.06  -0.06
    45   6     0.05  -0.04  -0.04    -0.04  -0.00  -0.01     0.03  -0.08  -0.07
    46   6    -0.04   0.05  -0.01    -0.06  -0.11  -0.06    -0.05  -0.05  -0.06
    47   6    -0.08   0.07  -0.00    -0.03  -0.10  -0.04    -0.04  -0.05  -0.06
    48   6    -0.10   0.07   0.02     0.06  -0.01   0.06     0.03   0.02   0.02
    49   6    -0.07   0.04   0.06     0.09   0.04   0.10     0.06   0.06   0.06
    50   6     0.01   0.02   0.07    -0.02  -0.14  -0.05    -0.05  -0.05  -0.07
    51   6    -0.01  -0.01   0.04     0.06  -0.10  -0.02    -0.03  -0.02  -0.03
    52   6    -0.04  -0.03  -0.01     0.15   0.01   0.06     0.04   0.05   0.05
    53   6    -0.04  -0.02  -0.01     0.11   0.04   0.05     0.05   0.06   0.06
    54   6     0.03  -0.04   0.04     0.04  -0.06   0.04    -0.03   0.10  -0.07
    55   6     0.05  -0.06   0.07     0.04  -0.02   0.01    -0.01   0.09  -0.06
    56   6     0.04   0.00  -0.01     0.03   0.04  -0.06     0.03  -0.04   0.04
    57   6     0.01   0.07  -0.08     0.02   0.03  -0.07     0.04  -0.10   0.08
    58   6    -0.01  -0.02  -0.02    -0.01  -0.11   0.02    -0.03   0.11  -0.08
    59   6    -0.01  -0.04   0.01    -0.05  -0.04  -0.02     0.00   0.05  -0.04
    60   6    -0.02  -0.01  -0.00    -0.07   0.05  -0.07     0.04  -0.08   0.06
    61   6    -0.02   0.02  -0.03    -0.04   0.04  -0.04     0.03  -0.10   0.07
    62   1    -0.01  -0.01  -0.07    -0.01   0.01  -0.04    -0.01   0.01   0.02
    63   1    -0.00  -0.01  -0.13    -0.01   0.05  -0.05    -0.00  -0.01   0.02
    64   1     0.01  -0.02  -0.04    -0.04   0.03  -0.01     0.00   0.00  -0.01
    65   1     0.03   0.02  -0.17    -0.01  -0.00  -0.06    -0.01  -0.00  -0.01
    66   1    -0.03  -0.02   0.12     0.05   0.01   0.01    -0.01  -0.00   0.00
    67   1    -0.01  -0.04   0.01     0.02   0.05  -0.05    -0.01  -0.00  -0.03
    68   1     0.00  -0.05   0.02    -0.01   0.07   0.03    -0.01  -0.00  -0.02
    69   1     0.04  -0.03  -0.03    -0.06   0.04   0.04    -0.01  -0.00  -0.02
    70   1     0.03   0.00  -0.16    -0.03  -0.01  -0.05    -0.01  -0.00   0.01
    71   1    -0.05  -0.03   0.22     0.05   0.02   0.08    -0.02  -0.00   0.01
    72   1     0.01   0.09   0.04     0.01  -0.04  -0.01    -0.05   0.15   0.13
    73   1     0.06   0.03  -0.02    -0.01   0.00   0.04    -0.02   0.13   0.12
    74   1     0.10  -0.05  -0.07    -0.01   0.02   0.06     0.04  -0.06  -0.06
    75   1     0.07  -0.04  -0.02    -0.01  -0.01   0.03     0.06  -0.14  -0.12
    76   1    -0.01   0.14   0.13    -0.04  -0.09   0.03    -0.04   0.14   0.13
    77   1     0.05  -0.01  -0.01    -0.10  -0.02   0.04    -0.01   0.07   0.07
    78   1     0.10  -0.16  -0.16    -0.11   0.03   0.03     0.05  -0.12  -0.12
    79   1     0.06  -0.10  -0.09    -0.04   0.03  -0.02     0.05  -0.15  -0.13
    80   1    -0.02   0.06  -0.04    -0.13  -0.17  -0.12    -0.09  -0.10  -0.11
    81   1    -0.09   0.09  -0.03    -0.07  -0.16  -0.10    -0.08  -0.10  -0.11
    82   1    -0.12   0.08   0.02     0.10   0.02   0.10     0.05   0.03   0.04
    83   1    -0.10   0.03   0.08     0.15   0.10   0.14     0.10   0.10   0.10
    84   1     0.03   0.04   0.10    -0.08  -0.22  -0.08    -0.09  -0.09  -0.11
    85   1    -0.00  -0.01   0.04     0.06  -0.14  -0.04    -0.05  -0.04  -0.06
    86   1    -0.06  -0.06  -0.05     0.22   0.06   0.11     0.07   0.08   0.09
    87   1    -0.06  -0.05  -0.04     0.17   0.13   0.08     0.09   0.10   0.11
    88   1     0.03  -0.08   0.10     0.04  -0.10   0.09    -0.06   0.19  -0.13
    89   1     0.09  -0.13   0.14     0.05  -0.03   0.03    -0.03   0.17  -0.12
    90   1     0.06  -0.00  -0.00     0.03   0.09  -0.10     0.05  -0.08   0.07
    91   1     0.00   0.10  -0.13     0.01   0.07  -0.12     0.07  -0.18   0.12
    92   1    -0.01  -0.04  -0.01     0.00  -0.16   0.03    -0.05   0.18  -0.13
    93   1    -0.01  -0.08   0.04    -0.07  -0.05  -0.03    -0.01   0.08  -0.07
    94   1    -0.02  -0.03   0.01    -0.11   0.12  -0.11     0.07  -0.16   0.12
    95   1    -0.03   0.04  -0.03    -0.06   0.10  -0.06     0.06  -0.19   0.13
    96  17     0.02  -0.09  -0.00    -0.02   0.14  -0.00     0.01  -0.00   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    155.4716               156.0853               186.9599
 Red. masses --      3.9649                 4.7427                 5.6705
 Frc consts  --      0.0565                 0.0681                 0.1168
 IR Inten    --      0.1902                 1.6669                 0.7829
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.05  -0.00  -0.02
     2   6    -0.00   0.00  -0.06    -0.00  -0.00   0.00    -0.09   0.01  -0.07
     3   6     0.00   0.01  -0.07    -0.00   0.01  -0.01    -0.10  -0.01  -0.04
     4   6    -0.00   0.00  -0.04    -0.01   0.03  -0.04    -0.09  -0.02  -0.03
     5   6    -0.00   0.00  -0.03    -0.01   0.03  -0.10    -0.07  -0.03   0.00
     6   6    -0.00   0.00  -0.01    -0.01   0.02  -0.08    -0.05  -0.02   0.02
     7   6     0.01   0.01  -0.05    -0.01   0.01   0.00    -0.09  -0.01   0.01
     8   6     0.00   0.00  -0.01    -0.01   0.03  -0.01    -0.09  -0.01   0.03
     9   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.09  -0.01   0.04
    10   6    -0.00   0.00  -0.00    -0.00   0.04   0.01    -0.09  -0.02  -0.02
    11   6     0.01   0.01  -0.05    -0.01   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01  -0.00    -0.00   0.00   0.00    -0.05  -0.01   0.01
    13   6     0.01   0.00   0.05     0.01   0.02  -0.02    -0.06  -0.01  -0.02
    14   6     0.01  -0.00   0.05     0.01   0.03  -0.03    -0.07  -0.01   0.02
    15   7    -0.00  -0.00   0.00    -0.01   0.05   0.03    -0.09  -0.01   0.06
    16   6    -0.00  -0.00   0.01    -0.02   0.05   0.04    -0.09   0.00   0.02
    17   6    -0.01  -0.01   0.06    -0.00   0.04   0.07    -0.08   0.00  -0.03
    18   7    -0.00  -0.00   0.05    -0.00   0.04   0.06    -0.09  -0.01  -0.06
    19   6    -0.00  -0.00  -0.03    -0.03   0.03  -0.01    -0.09   0.01   0.01
    20   6    -0.01  -0.00  -0.03    -0.03   0.01  -0.03    -0.08   0.01  -0.03
    21   6    -0.01  -0.00   0.01    -0.01   0.00   0.01    -0.06   0.01  -0.02
    22   6    -0.01  -0.01   0.06     0.00   0.02   0.06    -0.07   0.00  -0.03
    23   7    -0.00   0.00   0.02     0.00  -0.02   0.01    -0.00   0.03   0.01
    24   7     0.01   0.01   0.01    -0.00  -0.02  -0.00    -0.03  -0.01  -0.00
    25   7    -0.01   0.01  -0.01    -0.00  -0.03  -0.00    -0.02  -0.03   0.01
    26   6     0.03  -0.03  -0.03    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    27   6     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.01  -0.01   0.01
    28   6     0.02   0.01  -0.00    -0.00  -0.02  -0.01    -0.02   0.00  -0.01
    29   6    -0.00   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.00   0.01
    30   6    -0.01  -0.01   0.01     0.04  -0.00   0.05     0.02   0.03   0.02
    31   6    -0.00  -0.00   0.01     0.01  -0.04  -0.01     0.01   0.04   0.02
    32   6    -0.01  -0.00   0.01     0.01  -0.03   0.01     0.01   0.03   0.02
    33   6    -0.00   0.01   0.02    -0.02  -0.06  -0.03     0.02   0.03   0.02
    34   6    -0.02   0.04  -0.04    -0.01  -0.01  -0.02     0.01  -0.04   0.03
    35   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.01    -0.00  -0.04   0.01
    36   6    -0.02   0.01  -0.02    -0.00  -0.02   0.00    -0.01  -0.03   0.03
    37   6    -0.00  -0.03   0.01     0.01  -0.05   0.02     0.00  -0.03   0.01
    38   6     0.05  -0.10  -0.10    -0.01   0.02   0.03     0.02   0.05  -0.06
    39   6     0.04  -0.09  -0.09    -0.01   0.03   0.04     0.09   0.07  -0.05
    40   6    -0.01   0.05   0.05     0.00  -0.02  -0.00     0.10   0.06  -0.01
    41   6    -0.03   0.12   0.11     0.01  -0.05  -0.03     0.06   0.02   0.03
    42   6     0.05  -0.10  -0.10    -0.03   0.01   0.03     0.06   0.03  -0.03
    43   6     0.03  -0.05  -0.05    -0.03   0.01   0.03     0.12   0.02   0.00
    44   6    -0.02   0.08   0.08    -0.02  -0.02  -0.01     0.12  -0.00   0.05
    45   6    -0.02   0.11   0.10    -0.01  -0.03  -0.03     0.05  -0.03   0.06
    46   6    -0.03  -0.01  -0.02     0.08   0.04   0.11    -0.00  -0.04   0.03
    47   6    -0.03  -0.01  -0.01     0.08   0.03   0.10     0.02  -0.08   0.00
    48   6    -0.01   0.02   0.02    -0.01  -0.07  -0.02     0.05  -0.06  -0.00
    49   6     0.00   0.02   0.04    -0.06  -0.12  -0.09     0.06   0.00  -0.00
    50   6    -0.01  -0.03   0.00     0.12   0.03   0.13     0.04  -0.00   0.03
    51   6     0.01  -0.03   0.00     0.11  -0.02   0.06     0.05  -0.03  -0.02
    52   6     0.02  -0.00   0.01     0.01  -0.11  -0.08     0.04  -0.03  -0.06
    53   6     0.02   0.01   0.01    -0.03  -0.11  -0.11     0.03   0.01  -0.04
    54   6    -0.03   0.08  -0.06    -0.02   0.05  -0.05     0.03   0.04   0.07
    55   6    -0.02   0.06  -0.05    -0.00   0.06  -0.05     0.09   0.09   0.04
    56   6     0.02  -0.04   0.03     0.03  -0.02   0.00     0.11   0.07   0.00
    57   6     0.02  -0.08   0.06     0.04  -0.08   0.04     0.08  -0.01  -0.02
    58   6    -0.04   0.09  -0.08    -0.04   0.03  -0.06     0.07  -0.01   0.06
    59   6    -0.02   0.03  -0.03    -0.04   0.02  -0.04     0.12   0.01  -0.01
    60   6     0.02  -0.08   0.06    -0.02  -0.05   0.02     0.11   0.03  -0.08
    61   6     0.02  -0.09   0.06    -0.00  -0.07   0.04     0.05  -0.02  -0.08
    62   1    -0.00   0.00  -0.06    -0.00  -0.00   0.02    -0.09   0.03  -0.10
    63   1    -0.00   0.01  -0.03    -0.00   0.03  -0.14    -0.06  -0.05   0.02
    64   1    -0.01  -0.00   0.01    -0.02   0.02  -0.09    -0.04  -0.03   0.07
    65   1     0.01   0.01  -0.06    -0.02  -0.00   0.01    -0.09  -0.02   0.07
    66   1     0.01  -0.00   0.08     0.02   0.01  -0.03    -0.07  -0.01  -0.06
    67   1     0.01  -0.00   0.09     0.01   0.04  -0.05    -0.06  -0.00   0.01
    68   1    -0.00   0.00  -0.01    -0.01   0.05   0.02    -0.07  -0.01   0.07
    69   1    -0.00  -0.00  -0.06    -0.05   0.04  -0.03    -0.08   0.01   0.02
    70   1    -0.01  -0.00  -0.06    -0.03  -0.00  -0.07    -0.09  -0.00  -0.05
    71   1    -0.02  -0.01   0.08     0.02   0.02   0.08    -0.07   0.01  -0.03
    72   1     0.08  -0.19  -0.19    -0.02   0.05   0.06    -0.01   0.08  -0.12
    73   1     0.06  -0.17  -0.18    -0.02   0.06   0.07     0.11   0.09  -0.08
    74   1    -0.02   0.09   0.09     0.01  -0.02  -0.00     0.14   0.07   0.00
    75   1    -0.06   0.20   0.18     0.02  -0.07  -0.05     0.09  -0.02   0.08
    76   1     0.07  -0.18  -0.17    -0.03   0.02   0.06     0.07   0.08  -0.08
    77   1     0.04  -0.09  -0.10    -0.05   0.02   0.05     0.17   0.03  -0.01
    78   1    -0.04   0.15   0.15    -0.02  -0.03  -0.03     0.15  -0.01   0.08
    79   1    -0.05   0.19   0.18    -0.00  -0.05  -0.06     0.04  -0.07   0.13
    80   1    -0.04  -0.03  -0.04     0.14   0.10   0.19    -0.04  -0.06   0.06
    81   1    -0.04  -0.02  -0.03     0.14   0.10   0.18     0.01  -0.13  -0.01
    82   1    -0.01   0.03   0.03    -0.03  -0.10  -0.06     0.07  -0.08  -0.02
    83   1     0.01   0.03   0.06    -0.11  -0.17  -0.16     0.10   0.02  -0.03
    84   1    -0.02  -0.05   0.00     0.17   0.07   0.21     0.04  -0.02   0.07
    85   1     0.01  -0.04  -0.00     0.16   0.00   0.11     0.06  -0.06  -0.02
    86   1     0.04   0.00   0.02    -0.02  -0.17  -0.16     0.04  -0.06  -0.10
    87   1     0.03   0.02   0.02    -0.09  -0.16  -0.22     0.03   0.03  -0.08
    88   1    -0.06   0.15  -0.11    -0.04   0.11  -0.08    -0.01   0.08   0.13
    89   1    -0.03   0.11  -0.08    -0.02   0.13  -0.10     0.11   0.14   0.05
    90   1     0.03  -0.08   0.06     0.04  -0.03   0.01     0.15   0.09  -0.02
    91   1     0.04  -0.14   0.09     0.06  -0.13   0.06     0.12  -0.05  -0.06
    92   1    -0.06   0.16  -0.12    -0.05   0.07  -0.10     0.08   0.01   0.12
    93   1    -0.03   0.06  -0.06    -0.06   0.05  -0.07     0.16   0.04  -0.00
    94   1     0.04  -0.15   0.12    -0.01  -0.08   0.05     0.13   0.06  -0.13
    95   1     0.04  -0.16   0.12     0.01  -0.11   0.09     0.04  -0.03  -0.15
    96  17     0.00  -0.02   0.00    -0.01   0.11   0.00     0.04  -0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    206.5045               213.0907               229.0127
 Red. masses --      9.9948                 6.4551                 6.1118
 Frc consts  --      0.2511                 0.1727                 0.1889
 IR Inten    --     54.7371                 5.2327                10.3302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.03    -0.02  -0.02  -0.04     0.07   0.04   0.01
     2   6    -0.01  -0.09  -0.04    -0.01  -0.02  -0.11     0.08   0.05  -0.07
     3   6    -0.01  -0.11  -0.02    -0.00  -0.02  -0.06     0.06   0.05  -0.06
     4   6    -0.01  -0.12   0.02    -0.01  -0.01  -0.01     0.06   0.03  -0.07
     5   6     0.01  -0.13   0.02    -0.02  -0.01  -0.01     0.07   0.03  -0.00
     6   6     0.02  -0.12  -0.01    -0.02  -0.02  -0.01     0.08   0.04   0.07
     7   6     0.01  -0.11  -0.01     0.03  -0.03  -0.03     0.01   0.05  -0.00
     8   6     0.01  -0.12   0.03     0.03  -0.02   0.06    -0.01   0.04   0.04
     9   6     0.02  -0.09   0.03     0.02  -0.01   0.18    -0.01  -0.00   0.09
    10   6    -0.01  -0.10   0.02     0.00   0.01   0.05     0.03  -0.00  -0.05
    11   6     0.01  -0.09  -0.04     0.03  -0.03  -0.08    -0.01   0.07   0.02
    12   6    -0.02  -0.07  -0.03     0.03  -0.03  -0.08    -0.01   0.06   0.00
    13   6    -0.04  -0.10   0.00     0.03  -0.03  -0.16    -0.02   0.07  -0.08
    14   6    -0.04  -0.12   0.04     0.04  -0.02  -0.08    -0.02   0.05  -0.04
    15   7     0.04  -0.04   0.00     0.04   0.01   0.28    -0.04  -0.05   0.18
    16   6     0.03  -0.03  -0.01     0.03   0.06   0.07    -0.03  -0.10   0.06
    17   6     0.02  -0.03  -0.02     0.01   0.07  -0.06     0.00  -0.11  -0.03
    18   7    -0.01  -0.07   0.00    -0.01   0.05  -0.06     0.05  -0.06  -0.11
    19   6     0.06  -0.01  -0.01     0.02   0.07  -0.11    -0.02  -0.11  -0.07
    20   6     0.04   0.00  -0.00     0.01   0.08  -0.22    -0.01  -0.11  -0.14
    21   6     0.02   0.01  -0.01     0.01   0.07  -0.11    -0.01  -0.11  -0.03
    22   6     0.01  -0.01  -0.03     0.02   0.09  -0.14    -0.01  -0.12  -0.03
    23   7     0.05  -0.02   0.00     0.00   0.00   0.01     0.02  -0.01   0.02
    24   7    -0.04   0.00  -0.00     0.01   0.01   0.03     0.01   0.00   0.02
    25   7     0.02  -0.00   0.01     0.02  -0.01   0.04    -0.05  -0.02   0.03
    26   6    -0.04   0.03   0.01    -0.00   0.03   0.05     0.02  -0.03  -0.00
    27   6    -0.04   0.03   0.03    -0.00   0.03   0.04     0.02  -0.04  -0.02
    28   6    -0.04   0.03   0.02     0.00   0.03   0.04     0.02  -0.04  -0.02
    29   6    -0.03   0.03   0.02     0.00   0.03   0.05     0.01  -0.04  -0.01
    30   6     0.06   0.01   0.01     0.02   0.02   0.03    -0.02  -0.05  -0.02
    31   6     0.06  -0.00   0.03     0.02   0.02   0.03    -0.03  -0.06  -0.03
    32   6     0.07   0.01   0.02     0.02   0.02   0.03    -0.02  -0.05  -0.03
    33   6     0.06   0.01   0.03     0.02   0.02   0.03    -0.01  -0.05  -0.01
    34   6     0.02  -0.01   0.01     0.03  -0.03   0.06    -0.07   0.04   0.01
    35   6     0.02  -0.01   0.01     0.03  -0.03   0.06    -0.07   0.05  -0.03
    36   6     0.02  -0.01   0.01     0.03  -0.04   0.05    -0.08   0.06  -0.01
    37   6     0.01  -0.01   0.01     0.02  -0.04   0.07    -0.06   0.04  -0.00
    38   6    -0.00   0.03  -0.06     0.01  -0.02   0.01     0.01  -0.01   0.01
    39   6     0.04   0.02  -0.07     0.01  -0.05  -0.01     0.01   0.02   0.04
    40   6     0.04   0.05  -0.01    -0.00  -0.01   0.02     0.02  -0.01   0.02
    41   6     0.01   0.04   0.04    -0.01   0.03   0.05     0.03  -0.05  -0.01
    42   6     0.03   0.06  -0.01    -0.04   0.02   0.07    -0.01  -0.05  -0.00
    43   6     0.10   0.01  -0.01    -0.05  -0.01   0.01    -0.04  -0.02   0.02
    44   6     0.10  -0.03   0.01    -0.04  -0.04  -0.05    -0.05   0.01   0.03
    45   6     0.03  -0.02   0.05    -0.02  -0.00  -0.03    -0.01  -0.01  -0.01
    46   6     0.02   0.04  -0.08    -0.01   0.00  -0.01     0.00   0.02  -0.02
    47   6    -0.05   0.06  -0.09    -0.03  -0.01  -0.02    -0.00   0.07   0.02
    48   6    -0.05   0.08  -0.02    -0.01   0.01   0.01    -0.04   0.04   0.01
    49   6    -0.00   0.05   0.05     0.02   0.03   0.03    -0.06  -0.03  -0.01
    50   6    -0.00   0.08  -0.01     0.02   0.02   0.03    -0.04  -0.05  -0.03
    51   6    -0.10   0.07   0.00     0.00  -0.00   0.00    -0.02  -0.01   0.02
    52   6    -0.13   0.01   0.03    -0.01  -0.02  -0.02     0.01   0.01   0.07
    53   6    -0.05  -0.02   0.07    -0.00  -0.00  -0.00    -0.01  -0.02   0.04
    54   6     0.00  -0.01  -0.03    -0.02  -0.01  -0.05    -0.05   0.04   0.06
    55   6    -0.03  -0.01  -0.03    -0.08   0.01  -0.07    -0.01   0.00   0.10
    56   6    -0.03  -0.02  -0.00    -0.07  -0.04   0.02    -0.01   0.03   0.05
    57   6    -0.01  -0.02   0.02    -0.03  -0.06   0.09    -0.04   0.05  -0.01
    58   6    -0.01  -0.02  -0.00     0.01  -0.04   0.06     0.01   0.10   0.03
    59   6    -0.03  -0.00   0.00    -0.02   0.01   0.03     0.10   0.04   0.02
    60   6    -0.03   0.01   0.01    -0.03   0.06  -0.01     0.11  -0.04   0.01
    61   6    -0.01   0.01   0.02    -0.00   0.03   0.03     0.02  -0.03  -0.05
    62   1    -0.01  -0.08  -0.05    -0.01  -0.02  -0.14     0.08   0.07  -0.12
    63   1     0.01  -0.15   0.05    -0.02  -0.00   0.02     0.08   0.02   0.01
    64   1     0.03  -0.12   0.00    -0.03  -0.02   0.03     0.08   0.04   0.14
    65   1     0.03  -0.07  -0.05     0.03  -0.03  -0.08    -0.00   0.07   0.03
    66   1    -0.06  -0.10   0.01     0.04  -0.02  -0.23    -0.03   0.07  -0.15
    67   1    -0.05  -0.12   0.07     0.04  -0.02  -0.10    -0.03   0.05  -0.07
    68   1     0.06  -0.11  -0.00     0.04   0.03   0.27    -0.06  -0.07   0.18
    69   1     0.09  -0.01  -0.01     0.02   0.07  -0.13    -0.02  -0.10  -0.11
    70   1     0.06   0.02   0.02     0.02   0.08  -0.31    -0.02  -0.12  -0.26
    71   1    -0.00  -0.00  -0.03     0.02   0.09  -0.13    -0.00  -0.12  -0.03
    72   1    -0.02   0.04  -0.11     0.02  -0.04   0.01     0.00   0.01   0.02
    73   1     0.07   0.00  -0.13     0.02  -0.09  -0.05     0.00   0.06   0.08
    74   1     0.07   0.05  -0.01    -0.01  -0.02   0.01     0.02  -0.01   0.02
    75   1     0.02   0.04   0.09    -0.02   0.05   0.05     0.04  -0.06  -0.02
    76   1     0.03   0.12  -0.04    -0.04   0.02   0.09    -0.00  -0.09  -0.00
    77   1     0.14   0.02  -0.03    -0.07  -0.02   0.02    -0.05  -0.02   0.03
    78   1     0.14  -0.07  -0.00    -0.04  -0.07  -0.10    -0.07   0.05   0.05
    79   1     0.02  -0.07   0.09    -0.01  -0.01  -0.08    -0.01   0.02  -0.02
    80   1     0.05   0.05  -0.15    -0.02  -0.01  -0.03     0.04   0.04  -0.05
    81   1    -0.09   0.06  -0.15    -0.05  -0.04  -0.06     0.02   0.13   0.05
    82   1    -0.09   0.10  -0.02    -0.01   0.01   0.00    -0.06   0.06   0.02
    83   1    -0.03   0.04   0.11     0.02   0.04   0.04    -0.10  -0.06   0.00
    84   1     0.03   0.15  -0.05     0.02   0.02   0.04    -0.05  -0.05  -0.05
    85   1    -0.15   0.10  -0.02    -0.00  -0.01  -0.00    -0.03   0.00   0.02
    86   1    -0.20  -0.01   0.02    -0.03  -0.04  -0.05     0.04   0.05   0.12
    87   1    -0.07  -0.09   0.12    -0.01  -0.01  -0.01     0.00  -0.01   0.07
    88   1     0.01  -0.02  -0.06    -0.01   0.02  -0.13    -0.06   0.05   0.09
    89   1    -0.04  -0.01  -0.05    -0.12   0.06  -0.14     0.02  -0.04   0.15
    90   1    -0.05  -0.02  -0.00    -0.11  -0.05   0.02     0.02   0.02   0.06
    91   1    -0.02  -0.01   0.04    -0.04  -0.06   0.14    -0.03   0.07  -0.05
    92   1    -0.01  -0.04  -0.02     0.02  -0.07   0.06     0.00   0.19   0.07
    93   1    -0.05  -0.01  -0.01    -0.03   0.02   0.01     0.16   0.06   0.04
    94   1    -0.05   0.03   0.00    -0.05   0.12  -0.05     0.18  -0.10   0.03
    95   1    -0.01   0.03   0.04    -0.01   0.07   0.02     0.02  -0.10  -0.10
    96  17    -0.06   0.38   0.01    -0.02  -0.08  -0.02     0.02   0.10  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    235.7048               246.0346               252.5332
 Red. masses --      5.0000                 5.2910                 5.4634
 Frc consts  --      0.1637                 0.1887                 0.2053
 IR Inten    --     12.5509                 6.6717                 6.7802
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.08    -0.08  -0.04  -0.07     0.07  -0.04  -0.02
     2   6     0.00   0.01  -0.27    -0.05  -0.04  -0.11     0.03  -0.02  -0.09
     3   6     0.01   0.01  -0.11    -0.01  -0.02  -0.01     0.02  -0.02  -0.04
     4   6     0.02   0.01  -0.08    -0.02  -0.01   0.01     0.00  -0.00  -0.04
     5   6    -0.00   0.01  -0.02    -0.06  -0.01  -0.00     0.05  -0.02   0.00
     6   6    -0.02  -0.00   0.05    -0.08  -0.03  -0.02     0.06  -0.02   0.04
     7   6    -0.00   0.00   0.11     0.04  -0.03   0.07     0.01  -0.01   0.04
     8   6    -0.00   0.00   0.06     0.04  -0.03   0.04     0.00  -0.00  -0.01
     9   6     0.02  -0.01   0.00     0.02  -0.01   0.01    -0.01   0.02  -0.04
    10   6     0.02  -0.00  -0.03    -0.00  -0.00   0.01    -0.02   0.02  -0.03
    11   6    -0.02   0.01   0.30     0.06  -0.06   0.12     0.01  -0.00   0.14
    12   6    -0.04   0.03   0.11     0.10  -0.04   0.02     0.02   0.00   0.06
    13   6    -0.04   0.04  -0.02     0.09  -0.05  -0.03     0.02   0.00   0.02
    14   6    -0.03   0.01   0.02     0.08  -0.03   0.01     0.02  -0.01   0.01
    15   7     0.03  -0.01  -0.00     0.01  -0.01  -0.04    -0.01   0.04  -0.02
    16   6     0.04  -0.01  -0.00     0.00  -0.03  -0.03    -0.03   0.09   0.02
    17   6     0.04  -0.01   0.02    -0.01  -0.03  -0.02    -0.04   0.09   0.03
    18   7     0.03  -0.01  -0.01    -0.00  -0.01  -0.01    -0.04   0.06   0.01
    19   6     0.05   0.00  -0.01    -0.01  -0.05   0.00    -0.05   0.08   0.04
    20   6     0.05   0.00   0.00    -0.01  -0.06   0.04    -0.07   0.09   0.01
    21   6     0.05   0.00   0.02    -0.02  -0.06   0.02    -0.07   0.08  -0.01
    22   6     0.04  -0.01   0.04    -0.01  -0.05  -0.01    -0.05   0.10   0.03
    23   7    -0.02   0.01   0.01    -0.05   0.01  -0.02     0.08  -0.06   0.01
    24   7    -0.04   0.00  -0.01     0.09   0.01  -0.03     0.02   0.01  -0.01
    25   7     0.05   0.01   0.00    -0.04  -0.03   0.01    -0.06   0.01  -0.03
    26   6    -0.03  -0.02  -0.05     0.07   0.05   0.01     0.02   0.01  -0.02
    27   6    -0.03  -0.04  -0.05     0.08   0.08   0.00     0.03   0.01  -0.02
    28   6    -0.04  -0.04  -0.05     0.09   0.07   0.03     0.03   0.01  -0.01
    29   6    -0.03  -0.04  -0.05     0.07   0.07  -0.01     0.02   0.01  -0.02
    30   6    -0.02   0.01   0.03    -0.01   0.05   0.03     0.08  -0.07  -0.01
    31   6    -0.01   0.02   0.03     0.00   0.07   0.04     0.08  -0.10   0.01
    32   6    -0.01   0.02   0.03    -0.00   0.07   0.05     0.09  -0.09  -0.02
    33   6    -0.01   0.02   0.03    -0.01   0.06   0.03     0.07  -0.09   0.01
    34   6     0.05   0.02  -0.01    -0.05   0.00  -0.01    -0.04  -0.04   0.00
    35   6     0.05   0.03   0.00    -0.06   0.00  -0.03    -0.04  -0.07   0.01
    36   6     0.06   0.02  -0.01    -0.06   0.01  -0.01    -0.05  -0.07   0.03
    37   6     0.04   0.02   0.00    -0.05   0.00  -0.02    -0.04  -0.06  -0.00
    38   6    -0.04   0.03  -0.01     0.03  -0.05   0.09     0.00  -0.01   0.03
    39   6    -0.03   0.06   0.01    -0.06  -0.12   0.04    -0.04  -0.02   0.02
    40   6    -0.01  -0.00  -0.04    -0.11  -0.06  -0.00    -0.04  -0.02  -0.01
    41   6    -0.01  -0.05  -0.06    -0.05   0.06  -0.03    -0.02   0.01  -0.04
    42   6     0.02  -0.00  -0.07     0.00   0.03   0.04     0.01   0.00  -0.02
    43   6     0.05   0.02  -0.01    -0.07   0.04  -0.03    -0.01   0.02  -0.02
    44   6     0.03   0.03   0.05    -0.05   0.04  -0.11    -0.01   0.03  -0.02
    45   6     0.00  -0.03   0.02     0.01   0.09  -0.10     0.01   0.03  -0.03
    46   6    -0.04  -0.00   0.01    -0.04  -0.01   0.03     0.08   0.03  -0.11
    47   6    -0.04  -0.01   0.00    -0.03  -0.07  -0.01    -0.00   0.12  -0.08
    48   6    -0.02   0.01   0.03     0.02  -0.02   0.01    -0.05   0.09  -0.01
    49   6    -0.01   0.03   0.04     0.05   0.05   0.03    -0.03  -0.03   0.04
    50   6     0.01  -0.02   0.04     0.03   0.03   0.06     0.01   0.00  -0.03
    51   6     0.02  -0.03   0.01     0.04  -0.01  -0.01    -0.09   0.02   0.03
    52   6     0.01  -0.03  -0.02     0.01  -0.03  -0.08    -0.09  -0.02   0.10
    53   6     0.00   0.01  -0.01     0.01   0.03  -0.04    -0.02  -0.09   0.11
    54   6     0.03  -0.03  -0.06    -0.03   0.03   0.06    -0.03   0.02   0.06
    55   6    -0.02  -0.05  -0.05     0.02   0.02   0.07     0.03   0.08   0.01
    56   6    -0.04  -0.04  -0.02     0.03   0.04   0.01     0.06   0.03   0.00
    57   6    -0.01   0.01   0.01    -0.00   0.02  -0.03     0.03  -0.06  -0.01
    58   6    -0.01  -0.01  -0.03    -0.01   0.04   0.00    -0.00  -0.04   0.03
    59   6    -0.06  -0.00   0.01     0.05   0.01  -0.01     0.03  -0.02  -0.02
    60   6    -0.06   0.01   0.05     0.06  -0.04  -0.02     0.01  -0.00  -0.08
    61   6    -0.01   0.04   0.06    -0.00  -0.04  -0.05    -0.01  -0.05  -0.06
    62   1     0.01   0.01  -0.41    -0.04  -0.08  -0.16     0.03   0.02  -0.14
    63   1    -0.01   0.02   0.03    -0.07   0.03   0.02     0.06  -0.05   0.02
    64   1    -0.03  -0.01   0.18    -0.10  -0.03   0.02     0.04  -0.02   0.09
    65   1    -0.01   0.02   0.43     0.04  -0.09   0.19     0.01  -0.01   0.20
    66   1    -0.05   0.05  -0.15     0.09  -0.05  -0.08     0.01   0.00  -0.01
    67   1    -0.04  -0.00  -0.03     0.09  -0.01  -0.00     0.02  -0.00  -0.01
    68   1     0.02  -0.01   0.00    -0.00  -0.02  -0.03     0.01   0.06  -0.02
    69   1     0.06  -0.00  -0.03    -0.03  -0.04   0.01    -0.06   0.08   0.06
    70   1     0.05   0.00  -0.01    -0.01  -0.06   0.07    -0.06   0.10   0.02
    71   1     0.03  -0.01   0.05     0.01  -0.05  -0.02    -0.05   0.10   0.05
    72   1    -0.06   0.08   0.00     0.09  -0.12   0.18     0.02  -0.02   0.08
    73   1    -0.04   0.11   0.05    -0.09  -0.20   0.04    -0.05  -0.03   0.05
    74   1     0.01  -0.00  -0.04    -0.18  -0.08  -0.03    -0.07  -0.03  -0.02
    75   1     0.01  -0.07  -0.05    -0.10   0.14  -0.08    -0.03   0.03  -0.06
    76   1     0.02   0.02  -0.11    -0.01  -0.01   0.09     0.01  -0.01  -0.01
    77   1     0.07   0.04  -0.00    -0.12   0.01  -0.02    -0.02   0.02  -0.01
    78   1     0.05   0.06   0.11    -0.08   0.02  -0.17    -0.02   0.05  -0.02
    79   1    -0.01  -0.05   0.07     0.02   0.13  -0.18     0.01   0.05  -0.04
    80   1    -0.05  -0.02  -0.01    -0.08  -0.04   0.05     0.15   0.06  -0.21
    81   1    -0.06  -0.03  -0.02    -0.07  -0.14  -0.05    -0.01   0.18  -0.11
    82   1    -0.02   0.02   0.03     0.04  -0.04   0.00    -0.12   0.15   0.01
    83   1     0.00   0.03   0.04     0.09   0.08   0.01    -0.11  -0.07   0.11
    84   1     0.00  -0.03   0.07     0.04   0.02   0.10     0.03   0.07  -0.10
    85   1     0.03  -0.05   0.01     0.06  -0.03  -0.00    -0.14   0.07   0.01
    86   1     0.02  -0.05  -0.05    -0.01  -0.07  -0.14    -0.14  -0.01   0.15
    87   1     0.01   0.03  -0.04     0.00   0.05  -0.09    -0.03  -0.16   0.20
    88   1     0.06  -0.06  -0.11    -0.05   0.04   0.11    -0.06   0.06   0.10
    89   1    -0.04  -0.08  -0.06     0.04   0.01   0.11     0.03   0.15   0.00
    90   1    -0.08  -0.05  -0.01     0.07   0.04   0.01     0.10   0.05  -0.01
    91   1    -0.04   0.04   0.05     0.02   0.00  -0.07     0.07  -0.11  -0.04
    92   1    -0.01  -0.05  -0.07    -0.01   0.08   0.04     0.00  -0.03   0.07
    93   1    -0.10  -0.02  -0.00     0.09   0.02   0.00     0.06  -0.01  -0.01
    94   1    -0.09   0.01   0.07     0.09  -0.07  -0.02     0.02   0.03  -0.13
    95   1    -0.00   0.07   0.11    -0.00  -0.08  -0.09    -0.02  -0.06  -0.11
    96  17     0.00  -0.02   0.00    -0.01   0.05   0.00    -0.00  -0.05  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    263.3467               287.3204               294.0094
 Red. masses --      6.1406                 5.8692                 4.8408
 Frc consts  --      0.2509                 0.2855                 0.2465
 IR Inten    --      9.5271                13.8918                23.4161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02   0.15    -0.03  -0.04  -0.03    -0.01  -0.01  -0.01
     2   6    -0.03  -0.03   0.18     0.00  -0.04  -0.02    -0.02  -0.01   0.00
     3   6    -0.02  -0.02   0.01     0.02  -0.01   0.01    -0.02   0.00   0.01
     4   6    -0.02  -0.01  -0.18     0.02   0.05   0.00    -0.02   0.01   0.01
     5   6    -0.02  -0.02   0.01    -0.02   0.06   0.02    -0.02   0.00   0.01
     6   6    -0.03  -0.03   0.23    -0.05   0.02   0.00    -0.02  -0.00  -0.01
     7   6     0.01  -0.04   0.03     0.02  -0.02   0.03    -0.02   0.01   0.00
     8   6     0.01  -0.03  -0.02     0.04   0.03   0.08    -0.02   0.02   0.01
     9   6     0.01  -0.01  -0.06     0.03   0.09   0.05    -0.02   0.02   0.01
    10   6    -0.00   0.00  -0.25     0.05   0.10  -0.01    -0.01   0.01   0.00
    11   6     0.02  -0.05   0.09     0.02  -0.06  -0.03    -0.02   0.00  -0.02
    12   6     0.02  -0.05   0.03     0.00  -0.07  -0.08    -0.00   0.00  -0.02
    13   6     0.02  -0.05   0.02     0.06  -0.02  -0.08     0.00   0.01  -0.01
    14   6     0.02  -0.04   0.01     0.06   0.02   0.04    -0.01   0.01   0.01
    15   7     0.02  -0.00   0.12     0.03   0.10  -0.01    -0.03   0.01  -0.00
    16   6     0.01   0.01   0.13     0.03   0.08  -0.03    -0.02   0.00  -0.01
    17   6    -0.00   0.02   0.09     0.05   0.08  -0.01    -0.01  -0.00  -0.01
    18   7    -0.01   0.02  -0.19     0.06   0.11  -0.07    -0.01   0.01  -0.02
    19   6     0.01   0.02  -0.00    -0.04   0.01  -0.04    -0.03  -0.01  -0.01
    20   6     0.01   0.03  -0.13    -0.01  -0.09   0.05    -0.02  -0.03   0.01
    21   6     0.00   0.02   0.06     0.02  -0.09   0.09     0.01  -0.03   0.02
    22   6    -0.00   0.01   0.25     0.08  -0.02   0.07     0.00  -0.02   0.01
    23   7    -0.00   0.02  -0.01    -0.02  -0.06  -0.05     0.00  -0.02  -0.01
    24   7     0.01  -0.01  -0.02    -0.03  -0.08  -0.06     0.01  -0.01  -0.01
    25   7     0.01   0.00  -0.00     0.01  -0.10   0.08     0.02  -0.02   0.02
    26   6    -0.00   0.02  -0.01    -0.09   0.02   0.04     0.03  -0.05  -0.05
    27   6    -0.00   0.03   0.00    -0.12   0.02   0.08     0.02  -0.03  -0.04
    28   6     0.00   0.03   0.01    -0.11  -0.00   0.02    -0.00   0.05   0.05
    29   6     0.01   0.02  -0.01    -0.07  -0.05  -0.00    -0.01   0.06   0.06
    30   6    -0.00   0.01  -0.04     0.05  -0.00   0.02     0.08   0.06   0.08
    31   6    -0.01   0.02  -0.04     0.07   0.00   0.05     0.07   0.04   0.07
    32   6    -0.02   0.02  -0.04     0.05  -0.01   0.02    -0.02  -0.06  -0.06
    33   6    -0.01   0.03  -0.04     0.02  -0.03  -0.00    -0.05  -0.08  -0.08
    34   6     0.01  -0.00  -0.01    -0.05   0.04  -0.04     0.05  -0.10   0.09
    35   6     0.01  -0.00  -0.01    -0.06   0.07  -0.08     0.05  -0.05   0.06
    36   6     0.01  -0.01  -0.01    -0.05   0.04  -0.04    -0.00   0.10  -0.08
    37   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.00    -0.01   0.12  -0.09
    38   6    -0.00  -0.00   0.01    -0.05   0.02  -0.09    -0.01   0.04   0.06
    39   6    -0.02  -0.02  -0.01     0.01   0.03  -0.09     0.02  -0.03  -0.02
    40   6    -0.03  -0.01  -0.01     0.02   0.06   0.01     0.02  -0.04  -0.04
    41   6    -0.02   0.02  -0.01    -0.02  -0.00   0.05    -0.01   0.04   0.04
    42   6     0.00   0.03  -0.00    -0.05   0.06   0.04     0.01  -0.03  -0.03
    43   6     0.01   0.02  -0.01     0.03  -0.02   0.02    -0.02   0.04   0.05
    44   6     0.02   0.01  -0.03     0.04  -0.10   0.01    -0.01   0.02   0.01
    45   6     0.00   0.02  -0.01    -0.04  -0.05   0.09     0.02  -0.04  -0.06
    46   6     0.01  -0.00   0.01     0.02  -0.00  -0.05    -0.04  -0.06  -0.09
    47   6     0.05  -0.03   0.01    -0.01   0.00  -0.05     0.03   0.03   0.01
    48   6     0.06  -0.04  -0.03     0.01   0.03   0.01     0.06   0.06   0.06
    49   6     0.03  -0.00  -0.07     0.02   0.01   0.03    -0.03  -0.05  -0.05
    50   6    -0.02   0.03  -0.05     0.05   0.03   0.03     0.05   0.05   0.06
    51   6    -0.02   0.04  -0.04    -0.02   0.00   0.00    -0.06  -0.06  -0.06
    52   6    -0.01   0.06  -0.01    -0.05  -0.04  -0.01    -0.04  -0.04  -0.02
    53   6    -0.00   0.04  -0.02     0.01  -0.02   0.05     0.06   0.04   0.10
    54   6     0.00  -0.00  -0.03    -0.01  -0.01   0.04    -0.01   0.09  -0.10
    55   6     0.01  -0.01  -0.02     0.02  -0.03   0.07     0.03  -0.07   0.03
    56   6     0.01  -0.02  -0.01     0.00   0.05  -0.02     0.03  -0.09   0.06
    57   6     0.01  -0.01  -0.01    -0.02   0.04  -0.05    -0.02   0.09  -0.07
    58   6    -0.01  -0.01  -0.02    -0.04   0.08  -0.06     0.03  -0.06   0.04
    59   6    -0.04  -0.00  -0.01     0.01  -0.01  -0.01    -0.04   0.10  -0.07
    60   6    -0.04  -0.01   0.01     0.03  -0.09   0.04    -0.02   0.05  -0.01
    61   6    -0.01  -0.01   0.02    -0.02  -0.00  -0.05     0.04  -0.08   0.11
    62   1    -0.03  -0.04   0.24     0.01  -0.07  -0.02    -0.02  -0.01  -0.00
    63   1    -0.02  -0.02   0.00    -0.03   0.09   0.04    -0.02   0.01   0.01
    64   1    -0.03  -0.04   0.35    -0.11   0.03   0.02    -0.03  -0.00  -0.01
    65   1     0.01  -0.07   0.11     0.01  -0.07  -0.04    -0.02  -0.00  -0.02
    66   1     0.03  -0.05   0.01     0.12  -0.03  -0.12     0.01   0.01  -0.02
    67   1     0.03  -0.03  -0.01     0.07   0.03   0.08    -0.00   0.02   0.01
    68   1     0.02  -0.00   0.13     0.01   0.13  -0.01    -0.03   0.02  -0.00
    69   1     0.02   0.03  -0.09    -0.14   0.02  -0.08    -0.04  -0.00  -0.01
    70   1     0.01   0.03  -0.33    -0.04  -0.13   0.05    -0.03  -0.04   0.01
    71   1    -0.01   0.01   0.33     0.18  -0.03   0.07     0.02  -0.02   0.02
    72   1     0.01  -0.01   0.03    -0.08   0.04  -0.16    -0.01   0.05   0.08
    73   1    -0.02  -0.05  -0.02     0.04   0.03  -0.14     0.03  -0.08  -0.07
    74   1    -0.04  -0.01  -0.02     0.06   0.11   0.06     0.04  -0.11  -0.10
    75   1    -0.03   0.05  -0.01     0.00  -0.02   0.10    -0.01   0.04   0.04
    76   1     0.00   0.04   0.00    -0.05   0.12   0.01     0.01  -0.04  -0.02
    77   1     0.01   0.02  -0.01     0.09  -0.03  -0.02    -0.05   0.10   0.11
    78   1     0.02  -0.01  -0.04     0.10  -0.18  -0.04    -0.03   0.06   0.04
    79   1     0.01   0.01  -0.01    -0.04  -0.11   0.13     0.03  -0.05  -0.08
    80   1    -0.01  -0.01   0.07     0.03  -0.00  -0.08    -0.05  -0.08  -0.13
    81   1     0.07  -0.04   0.05    -0.03  -0.01  -0.09     0.07   0.09   0.06
    82   1     0.08  -0.06  -0.04     0.01   0.06   0.03     0.12   0.15   0.16
    83   1     0.06   0.01  -0.09     0.02   0.01   0.06    -0.03  -0.05  -0.03
    84   1    -0.01   0.04  -0.06     0.06   0.07   0.02     0.06   0.06   0.05
    85   1    -0.03   0.05  -0.04    -0.05   0.01  -0.01    -0.14  -0.13  -0.15
    86   1     0.00   0.08   0.01    -0.11  -0.08  -0.05    -0.10  -0.10  -0.09
    87   1     0.01   0.05   0.01     0.00  -0.05   0.07     0.07   0.05   0.13
    88   1     0.00   0.01  -0.04    -0.02  -0.02   0.09    -0.01   0.11  -0.14
    89   1     0.01  -0.01  -0.02     0.05  -0.09   0.13     0.05  -0.18   0.11
    90   1     0.01  -0.03  -0.00     0.01   0.09  -0.06     0.05  -0.22   0.16
    91   1     0.01  -0.01  -0.02    -0.02   0.06  -0.09    -0.03   0.10  -0.06
    92   1    -0.01  -0.03  -0.03    -0.05   0.12  -0.06     0.02  -0.06   0.03
    93   1    -0.06  -0.00  -0.02     0.03  -0.02   0.01    -0.09   0.22  -0.18
    94   1    -0.05  -0.01   0.02     0.07  -0.19   0.11    -0.05   0.11  -0.05
    95   1    -0.00  -0.00   0.05    -0.02  -0.03  -0.06     0.05  -0.11   0.15
    96  17    -0.01   0.01  -0.00     0.00  -0.05  -0.00     0.01  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    294.7591               294.9235               301.8431
 Red. masses --      4.7538                 4.7703                 5.9923
 Frc consts  --      0.2433                 0.2445                 0.3217
 IR Inten    --      1.4072                 1.1156                11.4170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.01     0.02   0.03   0.02
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.07   0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.08  -0.01  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00     0.07   0.00  -0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.04   0.02  -0.01
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.03   0.02   0.00
     7   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.09  -0.03  -0.01
     8   6    -0.00   0.00   0.02     0.00   0.01   0.01     0.09  -0.04  -0.06
     9   6    -0.00   0.00   0.01     0.00   0.02   0.01     0.10  -0.02  -0.04
    10   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.00   0.01
    11   6    -0.01  -0.00  -0.02     0.00  -0.01  -0.00     0.08  -0.04   0.04
    12   6    -0.01  -0.00  -0.02    -0.00  -0.01  -0.01     0.00  -0.04   0.04
    13   6    -0.00   0.00  -0.02     0.01  -0.00  -0.01     0.03  -0.03   0.06
    14   6    -0.01   0.00   0.01     0.01   0.00   0.01     0.04  -0.04  -0.01
    15   7    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.12  -0.00  -0.00
    16   6    -0.00   0.01  -0.01    -0.00   0.02  -0.01     0.10   0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.02  -0.00     0.06   0.03   0.02
    18   7     0.00   0.01  -0.01     0.01   0.02  -0.01     0.06   0.01   0.06
    19   6    -0.00   0.00  -0.01    -0.02   0.00  -0.00     0.09   0.01   0.04
    20   6    -0.00  -0.00   0.01    -0.01  -0.01   0.01     0.07   0.04  -0.03
    21   6     0.01  -0.01   0.02    -0.00  -0.02   0.02    -0.02   0.04  -0.07
    22   6     0.01  -0.00   0.02     0.01  -0.00   0.01     0.02   0.06  -0.06
    23   7     0.00  -0.00   0.00    -0.00  -0.01  -0.01    -0.02   0.04   0.02
    24   7    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.04  -0.01   0.01
    25   7     0.01  -0.01   0.01     0.00  -0.02   0.01    -0.08   0.04  -0.05
    26   6     0.04  -0.12  -0.13    -0.00  -0.03  -0.03    -0.07  -0.04  -0.05
    27   6     0.03  -0.09  -0.09    -0.01  -0.02  -0.01    -0.08  -0.06  -0.03
    28   6    -0.04   0.10   0.11    -0.02   0.02   0.03    -0.09   0.00  -0.00
    29   6    -0.05   0.12   0.14    -0.02   0.02   0.03    -0.07   0.00   0.02
    30   6    -0.00  -0.01  -0.01    -0.07  -0.10  -0.12    -0.03   0.05   0.03
    31   6    -0.00  -0.01  -0.01    -0.05  -0.08  -0.08    -0.05   0.06   0.00
    32   6     0.01   0.00   0.01     0.08   0.07   0.09    -0.08   0.03  -0.01
    33   6     0.01   0.01   0.01     0.10   0.08   0.12    -0.06   0.03  -0.03
    34   6    -0.02   0.07  -0.07     0.02  -0.08   0.07    -0.09  -0.06   0.04
    35   6    -0.01   0.06  -0.05     0.01  -0.06   0.04    -0.10  -0.11   0.04
    36   6     0.02  -0.04   0.04    -0.03   0.07  -0.06    -0.12  -0.04   0.03
    37   6     0.03  -0.07   0.06    -0.03   0.09  -0.08    -0.10  -0.01  -0.03
    38   6    -0.04   0.12   0.12    -0.02   0.03   0.02    -0.07   0.07  -0.03
    39   6     0.03  -0.05  -0.06     0.01  -0.01  -0.03    -0.02   0.04  -0.07
    40   6     0.05  -0.10  -0.10     0.01  -0.02  -0.02     0.00   0.00  -0.05
    41   6    -0.02   0.08   0.10    -0.01   0.02   0.03    -0.04  -0.00   0.02
    42   6     0.02  -0.08  -0.08    -0.00  -0.01  -0.02    -0.02  -0.01  -0.06
    43   6    -0.03   0.10   0.11    -0.00   0.02   0.03     0.03   0.02   0.03
    44   6    -0.02   0.05   0.05     0.00  -0.00   0.01     0.03  -0.02   0.07
    45   6     0.04  -0.12  -0.12     0.00  -0.04  -0.02    -0.01  -0.09   0.03
    46   6     0.01   0.01   0.01     0.09   0.09   0.10    -0.07  -0.03   0.03
    47   6    -0.00  -0.00  -0.01    -0.04  -0.03  -0.06    -0.01  -0.02   0.06
    48   6    -0.01  -0.01  -0.01    -0.08  -0.07  -0.09     0.01  -0.01   0.03
    49   6     0.00   0.00   0.01     0.06   0.06   0.09    -0.03   0.01  -0.04
    50   6    -0.00  -0.01  -0.01    -0.05  -0.06  -0.07    -0.02   0.01   0.02
    51   6     0.00   0.01   0.01     0.07   0.08   0.09     0.01  -0.01  -0.04
    52   6     0.00   0.00   0.01     0.02   0.03   0.05     0.03   0.03  -0.05
    53   6    -0.01  -0.01  -0.01    -0.08  -0.10  -0.10     0.02   0.08  -0.03
    54   6     0.03  -0.07   0.05    -0.03   0.08  -0.06    -0.10   0.07   0.07
    55   6    -0.01   0.02  -0.02     0.02  -0.04   0.04    -0.03   0.09   0.07
    56   6    -0.02   0.06  -0.05     0.03  -0.07   0.05     0.02  -0.00   0.07
    57   6     0.01  -0.04   0.04    -0.02   0.06  -0.06    -0.04  -0.04  -0.01
    58   6    -0.02   0.05  -0.05     0.01  -0.05   0.04    -0.03  -0.04   0.08
    59   6     0.01  -0.06   0.04    -0.02   0.07  -0.06     0.04   0.01  -0.03
    60   6     0.01  -0.04   0.04    -0.01   0.03  -0.02     0.03  -0.00  -0.12
    61   6    -0.02   0.07  -0.05     0.02  -0.08   0.06    -0.02  -0.11  -0.06
    62   1    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.08  -0.02   0.01
    63   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.04   0.04  -0.03
    64   1     0.00   0.00   0.00    -0.02   0.01  -0.01     0.05   0.02  -0.00
    65   1    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.10  -0.01   0.06
    66   1     0.00   0.00  -0.04     0.02  -0.00  -0.02     0.05  -0.04   0.10
    67   1    -0.00   0.00   0.03     0.01   0.01   0.02     0.03  -0.05  -0.02
    68   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.11  -0.01  -0.00
    69   1    -0.01   0.00  -0.02    -0.03   0.01  -0.00     0.09   0.01   0.07
    70   1    -0.01  -0.01   0.02    -0.01  -0.02   0.01     0.11   0.09  -0.03
    71   1     0.01  -0.00   0.01     0.03  -0.01   0.02     0.03   0.06  -0.07
    72   1    -0.06   0.16   0.15    -0.03   0.05   0.02    -0.10   0.11  -0.05
    73   1     0.07  -0.15  -0.17     0.02  -0.04  -0.06    -0.00   0.05  -0.10
    74   1     0.10  -0.25  -0.25     0.03  -0.05  -0.05     0.06  -0.03  -0.08
    75   1    -0.02   0.07   0.11    -0.01   0.02   0.04    -0.02  -0.03   0.05
    76   1     0.02  -0.07  -0.09    -0.00   0.00  -0.02    -0.02   0.04  -0.09
    77   1    -0.08   0.25   0.26    -0.01   0.06   0.06     0.07   0.07   0.06
    78   1    -0.04   0.13   0.15     0.00   0.01   0.03     0.06  -0.00   0.12
    79   1     0.05  -0.17  -0.16     0.01  -0.06  -0.02    -0.02  -0.15   0.08
    80   1     0.02   0.01   0.01     0.12   0.12   0.12    -0.11  -0.05   0.07
    81   1    -0.01  -0.00  -0.01    -0.11  -0.10  -0.16     0.02  -0.03   0.11
    82   1    -0.02  -0.01  -0.02    -0.19  -0.17  -0.22     0.07  -0.02   0.05
    83   1     0.00   0.00   0.01     0.05   0.06   0.10     0.00   0.02  -0.07
    84   1    -0.00  -0.00  -0.01    -0.04  -0.04  -0.08    -0.03  -0.02   0.05
    85   1     0.01   0.02   0.02     0.16   0.20   0.22     0.02  -0.07  -0.06
    86   1     0.01   0.01   0.02     0.08   0.10   0.13     0.05   0.02  -0.08
    87   1    -0.01  -0.02  -0.01    -0.11  -0.14  -0.12     0.03   0.12  -0.06
    88   1     0.04  -0.10   0.07    -0.04   0.11  -0.08    -0.15   0.13   0.11
    89   1    -0.02   0.06  -0.06     0.04  -0.12   0.11    -0.02   0.14   0.08
    90   1    -0.05   0.15  -0.12     0.06  -0.16   0.13     0.10  -0.03   0.09
    91   1     0.01  -0.03   0.04    -0.02   0.06  -0.07     0.00  -0.09  -0.05
    92   1    -0.02   0.05  -0.06     0.01  -0.04   0.04    -0.02  -0.00   0.15
    93   1     0.03  -0.15   0.11    -0.05   0.18  -0.14     0.10   0.07  -0.04
    94   1     0.02  -0.10   0.09    -0.02   0.08  -0.07     0.05   0.06  -0.21
    95   1    -0.03   0.10  -0.06     0.03  -0.12   0.09    -0.02  -0.17  -0.14
    96  17     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.02   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    304.7466               324.8200               346.1817
 Red. masses --      5.7110                 6.0931                 6.5545
 Frc consts  --      0.3125                 0.3788                 0.4628
 IR Inten    --      5.1058                 3.2113                 0.2721
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.10  -0.03    -0.02  -0.03  -0.04    -0.02   0.01  -0.05
     2   6    -0.05  -0.11   0.10     0.02  -0.03   0.00     0.02   0.01   0.01
     3   6     0.02  -0.03   0.04     0.04  -0.01   0.03     0.03   0.05   0.03
     4   6     0.00   0.01   0.04     0.03  -0.01   0.01     0.03   0.07   0.00
     5   6    -0.07   0.02   0.06     0.00  -0.01   0.03    -0.00   0.09   0.04
     6   6    -0.12  -0.04  -0.04    -0.02  -0.02  -0.01    -0.04   0.07  -0.01
     7   6     0.03   0.01  -0.06     0.05   0.01   0.03    -0.02   0.06   0.04
     8   6     0.02   0.02  -0.16     0.02  -0.04   0.18    -0.01   0.09   0.02
     9   6     0.02   0.03  -0.06     0.03  -0.06   0.10    -0.01   0.04  -0.06
    10   6     0.02   0.03  -0.02     0.01  -0.04  -0.03     0.02   0.03  -0.06
    11   6     0.01   0.06  -0.01     0.02   0.11  -0.13    -0.03   0.02   0.02
    12   6    -0.03   0.07   0.12    -0.04   0.13  -0.09     0.01   0.01  -0.07
    13   6    -0.04   0.06   0.17    -0.10   0.09  -0.17     0.05   0.05  -0.03
    14   6    -0.02   0.03  -0.09    -0.07  -0.01   0.05     0.03   0.09   0.06
    15   7     0.01   0.02   0.09     0.05  -0.03  -0.05    -0.06  -0.04  -0.08
    16   6     0.01   0.00   0.09     0.05   0.00  -0.08    -0.02  -0.13   0.04
    17   6     0.02   0.00   0.01     0.01   0.01  -0.01    -0.02  -0.13   0.04
    18   7     0.03   0.02   0.01    -0.00  -0.01  -0.16     0.04  -0.06  -0.05
    19   6    -0.01  -0.02   0.03     0.07   0.03  -0.05     0.04  -0.08   0.08
    20   6     0.01  -0.04  -0.11     0.04   0.08   0.10     0.03  -0.00  -0.07
    21   6     0.02  -0.04  -0.06    -0.02   0.07   0.13    -0.01   0.02  -0.08
    22   6     0.03  -0.03  -0.06    -0.03   0.06   0.19    -0.06  -0.08   0.06
    23   7    -0.09  -0.12  -0.13    -0.06  -0.06  -0.08    -0.08  -0.10  -0.12
    24   7    -0.03   0.10   0.11    -0.03   0.12   0.11     0.04  -0.13  -0.15
    25   7     0.01  -0.03   0.02    -0.03   0.05  -0.03    -0.06   0.20  -0.18
    26   6     0.00  -0.01  -0.02     0.04   0.01   0.03    -0.01  -0.02  -0.01
    27   6     0.02  -0.06  -0.08     0.05  -0.05  -0.03    -0.04   0.03   0.07
    28   6     0.02  -0.05  -0.07     0.03  -0.06  -0.03    -0.04   0.04   0.06
    29   6    -0.00   0.01  -0.01    -0.01  -0.01   0.02    -0.01  -0.03  -0.01
    30   6     0.04  -0.02  -0.01    -0.01   0.00   0.00     0.00  -0.03  -0.01
    31   6     0.09   0.03   0.06     0.01   0.04   0.04     0.05   0.01   0.06
    32   6     0.09   0.04   0.06     0.01   0.03   0.04     0.06   0.01   0.05
    33   6     0.02  -0.01   0.00    -0.01   0.00  -0.00     0.00  -0.04  -0.01
    34   6    -0.02   0.01   0.01    -0.01  -0.01  -0.02    -0.01   0.04  -0.02
    35   6    -0.02   0.02  -0.00    -0.02  -0.05  -0.01     0.03  -0.06   0.08
    36   6    -0.01   0.01   0.01    -0.05  -0.04  -0.01     0.04  -0.07   0.08
    37   6     0.01  -0.00   0.02    -0.05  -0.02  -0.03     0.01   0.03  -0.01
    38   6    -0.01   0.00  -0.01     0.03  -0.03   0.00    -0.02   0.02   0.00
    39   6    -0.03   0.05   0.05     0.03   0.04   0.07     0.03  -0.04  -0.06
    40   6    -0.01  -0.02  -0.03     0.05  -0.02   0.02     0.01   0.03   0.02
    41   6     0.00  -0.04  -0.06     0.05  -0.06  -0.01    -0.01   0.03   0.06
    42   6     0.03  -0.05  -0.07     0.01  -0.07  -0.01    -0.03   0.02   0.05
    43   6     0.02  -0.01  -0.02    -0.04  -0.04   0.00    -0.02   0.00   0.04
    44   6    -0.00   0.07   0.06    -0.05   0.03   0.04     0.00  -0.08  -0.03
    45   6     0.01  -0.00  -0.01     0.01  -0.01  -0.02    -0.01  -0.02   0.03
    46   6     0.04   0.02  -0.01    -0.01   0.00   0.02     0.03   0.01  -0.01
    47   6    -0.02  -0.04  -0.09    -0.03  -0.03  -0.02    -0.03  -0.02  -0.06
    48   6     0.03   0.02  -0.00     0.00   0.01   0.02     0.01   0.03   0.01
    49   6     0.07   0.04   0.06     0.01   0.03   0.02     0.03   0.01   0.05
    50   6     0.06   0.06   0.04     0.02   0.02   0.03     0.04   0.01   0.04
    51   6     0.00   0.03   0.02     0.01   0.00   0.01     0.01  -0.00   0.03
    52   6    -0.07  -0.05  -0.04    -0.02  -0.02  -0.04    -0.04  -0.07  -0.02
    53   6     0.01  -0.03   0.03     0.01   0.02  -0.00     0.01  -0.02   0.03
    54   6    -0.01   0.00   0.01    -0.02   0.01   0.03     0.01  -0.03   0.01
    55   6    -0.02  -0.01   0.01     0.02   0.04   0.01    -0.04   0.07  -0.07
    56   6    -0.03   0.01   0.01     0.04   0.01  -0.00    -0.01  -0.04   0.03
    57   6    -0.02   0.01   0.02     0.01  -0.04  -0.03     0.01  -0.06   0.07
    58   6    -0.00   0.03   0.01    -0.02  -0.05  -0.01     0.03  -0.04   0.06
    59   6     0.02   0.01   0.02    -0.03  -0.03  -0.04     0.02  -0.02   0.05
    60   6     0.02  -0.00   0.02    -0.03  -0.02  -0.06    -0.01   0.10  -0.04
    61   6    -0.00   0.01  -0.01    -0.01  -0.06  -0.03     0.01   0.01   0.03
    62   1    -0.03  -0.16   0.16     0.03  -0.05   0.02     0.03  -0.01   0.01
    63   1    -0.09   0.09   0.09    -0.01   0.03   0.06    -0.01   0.12   0.06
    64   1    -0.19  -0.03  -0.09    -0.04  -0.02  -0.01    -0.08   0.07  -0.01
    65   1     0.03   0.08  -0.03     0.06   0.16  -0.19    -0.05  -0.00   0.03
    66   1    -0.06   0.05   0.29    -0.18   0.12  -0.27     0.10   0.05  -0.05
    67   1    -0.05   0.00  -0.17    -0.11  -0.06   0.09     0.04   0.10   0.12
    68   1    -0.01   0.02   0.09     0.06  -0.05  -0.05    -0.09  -0.05  -0.09
    69   1    -0.03  -0.02   0.03     0.11   0.03  -0.08     0.12  -0.10   0.13
    70   1    -0.00  -0.06  -0.20     0.08   0.13   0.14     0.06   0.02  -0.14
    71   1     0.07  -0.03  -0.07    -0.07   0.06   0.24    -0.15  -0.07   0.09
    72   1    -0.01   0.02   0.02     0.02  -0.03  -0.02    -0.03   0.03  -0.02
    73   1    -0.06   0.12   0.12     0.02   0.10   0.13     0.06  -0.09  -0.14
    74   1    -0.01  -0.04  -0.05     0.05  -0.03   0.01     0.02   0.05   0.04
    75   1     0.01  -0.06  -0.09     0.07  -0.11  -0.03    -0.01   0.04   0.09
    76   1     0.03  -0.06  -0.09     0.02  -0.14  -0.02    -0.04   0.05   0.06
    77   1     0.03  -0.01  -0.03    -0.05  -0.06  -0.01    -0.02   0.03   0.06
    78   1    -0.02   0.14   0.14    -0.09   0.09   0.09     0.03  -0.14  -0.10
    79   1     0.00   0.01   0.02     0.01   0.02  -0.06    -0.01  -0.03   0.02
    80   1     0.04   0.01  -0.03    -0.02  -0.01   0.02     0.05   0.02  -0.03
    81   1    -0.09  -0.11  -0.18    -0.06  -0.07  -0.05    -0.08  -0.05  -0.12
    82   1     0.02   0.03   0.01     0.02   0.01   0.03     0.00   0.05   0.03
    83   1     0.09   0.07   0.10     0.03   0.04   0.03     0.03   0.03   0.08
    84   1     0.09   0.11   0.04     0.03   0.03   0.05     0.06   0.03   0.05
    85   1    -0.00   0.06   0.03     0.03   0.00   0.02     0.02   0.03   0.05
    86   1    -0.15  -0.12  -0.11    -0.04  -0.06  -0.09    -0.09  -0.11  -0.07
    87   1    -0.01  -0.07   0.04     0.01   0.02  -0.01     0.00  -0.04   0.04
    88   1    -0.01   0.00  -0.01    -0.05   0.03   0.07     0.02  -0.03  -0.01
    89   1    -0.03  -0.02   0.01     0.04   0.07   0.02    -0.08   0.17  -0.16
    90   1    -0.04   0.02   0.00     0.08   0.00  -0.00    -0.02  -0.06   0.05
    91   1    -0.03   0.03   0.01     0.05  -0.09  -0.06     0.01  -0.08   0.10
    92   1    -0.00   0.06   0.01    -0.02  -0.07   0.01     0.04  -0.07   0.09
    93   1     0.03   0.01   0.03    -0.01  -0.02  -0.03     0.03  -0.06   0.07
    94   1     0.04  -0.02   0.03    -0.04  -0.00  -0.08    -0.04   0.19  -0.12
    95   1    -0.00   0.01  -0.03    -0.01  -0.07  -0.02     0.01   0.01   0.02
    96  17     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --    361.6641               390.7775               395.2430
 Red. masses --      5.8254                 7.1156                 5.6987
 Frc consts  --      0.4489                 0.6402                 0.5245
 IR Inten    --      0.3620                 6.0001                14.2426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.07   0.18     0.11   0.06   0.04     0.05  -0.01   0.01
     2   6    -0.07  -0.06   0.06     0.19   0.04   0.04     0.07  -0.01   0.03
     3   6    -0.02  -0.00  -0.08     0.14   0.01  -0.01     0.04  -0.03   0.00
     4   6    -0.01   0.03  -0.21     0.10   0.10  -0.08     0.04  -0.05  -0.03
     5   6    -0.06   0.03  -0.19     0.11   0.14  -0.06     0.06  -0.06  -0.01
     6   6    -0.11  -0.04   0.23     0.10   0.15   0.10     0.07  -0.04   0.02
     7   6     0.00   0.01   0.00     0.08  -0.05  -0.01    -0.02  -0.01   0.00
     8   6     0.01   0.02   0.09    -0.01  -0.12   0.00    -0.04  -0.04  -0.01
     9   6     0.02   0.02   0.03    -0.07  -0.02   0.02    -0.01  -0.04  -0.12
    10   6     0.01   0.02   0.02    -0.02   0.01  -0.01     0.02  -0.05  -0.04
    11   6    -0.00   0.03   0.00     0.09  -0.08  -0.01    -0.06   0.07   0.05
    12   6    -0.01   0.05  -0.05     0.04  -0.08   0.01    -0.07   0.09  -0.11
    13   6    -0.01   0.06  -0.11    -0.01  -0.16  -0.00    -0.12   0.06  -0.09
    14   6    -0.01   0.03   0.08    -0.00  -0.16  -0.02    -0.10  -0.04   0.14
    15   7     0.01   0.01  -0.01    -0.10  -0.02   0.06     0.03   0.02  -0.10
    16   6     0.03  -0.01  -0.09    -0.12   0.00  -0.05     0.01   0.07   0.09
    17   6     0.02  -0.02   0.03    -0.07  -0.02  -0.01     0.04   0.07   0.05
    18   7     0.02  -0.01   0.25    -0.04  -0.02   0.09     0.00   0.01   0.08
    19   6     0.03  -0.03  -0.06    -0.13   0.02  -0.08    -0.02   0.04   0.17
    20   6     0.03  -0.04   0.10    -0.14   0.04   0.09    -0.02   0.03  -0.15
    21   6     0.02  -0.03  -0.05    -0.06   0.03   0.03     0.01   0.02  -0.14
    22   6     0.02  -0.03  -0.16    -0.08   0.02  -0.05     0.05   0.07  -0.07
    23   7    -0.01  -0.02   0.02    -0.11  -0.13  -0.17    -0.05  -0.06  -0.08
    24   7    -0.01   0.03   0.02    -0.01   0.03   0.05     0.01  -0.06  -0.11
    25   7    -0.01   0.04  -0.05    -0.01  -0.01   0.02     0.04  -0.13   0.09
    26   6     0.01   0.01   0.02    -0.02   0.01   0.00     0.05  -0.01  -0.02
    27   6     0.01  -0.01   0.00    -0.01  -0.02  -0.02     0.04   0.03   0.04
    28   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.02     0.01   0.00   0.05
    29   6    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.00  -0.03  -0.01
    30   6     0.04  -0.03  -0.03    -0.06  -0.03  -0.04    -0.03  -0.01  -0.02
    31   6     0.04  -0.02  -0.03     0.01   0.05   0.05    -0.01   0.03   0.02
    32   6     0.02   0.01  -0.03     0.01   0.04   0.06    -0.01   0.03   0.03
    33   6    -0.00   0.02  -0.02    -0.04  -0.03  -0.03    -0.02  -0.01  -0.02
    34   6    -0.01   0.00   0.00     0.04  -0.00   0.00    -0.01  -0.04   0.03
    35   6    -0.01  -0.02   0.02     0.04   0.02  -0.00    -0.03   0.03  -0.02
    36   6    -0.00  -0.01   0.02     0.03   0.01  -0.02    -0.01   0.03  -0.01
    37   6    -0.00   0.02  -0.00     0.01   0.01  -0.01     0.02  -0.04   0.04
    38   6     0.00  -0.01  -0.00    -0.01   0.01  -0.01     0.02  -0.03   0.04
    39   6     0.01   0.01   0.02    -0.02   0.02  -0.00     0.07  -0.06   0.02
    40   6     0.02  -0.00   0.01    -0.02  -0.00  -0.02     0.05  -0.01   0.05
    41   6     0.01  -0.02   0.00    -0.01   0.00  -0.02     0.04  -0.00   0.04
    42   6     0.00  -0.02   0.00    -0.00  -0.00  -0.01     0.01   0.01   0.03
    43   6    -0.01  -0.01   0.00     0.01  -0.01  -0.01    -0.03   0.02   0.00
    44   6    -0.02   0.00   0.01     0.01   0.01   0.02    -0.02  -0.01  -0.05
    45   6     0.00  -0.01  -0.01     0.00  -0.01   0.01     0.00   0.03  -0.01
    46   6     0.04   0.02  -0.02    -0.02   0.00   0.05    -0.02  -0.01   0.04
    47   6     0.06  -0.01  -0.04    -0.08  -0.05  -0.01    -0.05  -0.03   0.01
    48   6     0.05  -0.02  -0.04    -0.01   0.02   0.05    -0.02   0.00   0.04
    49   6     0.05   0.00  -0.03    -0.01   0.04   0.04    -0.02   0.02   0.02
    50   6     0.02   0.02  -0.03     0.01   0.04   0.04    -0.00   0.03   0.02
    51   6    -0.04   0.03  -0.01     0.03   0.02   0.01     0.02   0.02  -0.01
    52   6    -0.03   0.02   0.01    -0.03  -0.03  -0.08    -0.01  -0.00  -0.05
    53   6     0.00  -0.01   0.02     0.03   0.05   0.00     0.02   0.04  -0.01
    54   6    -0.00   0.00   0.02     0.03  -0.03  -0.03    -0.02   0.04  -0.02
    55   6    -0.02   0.02   0.00     0.04  -0.02  -0.04    -0.01  -0.04   0.05
    56   6    -0.02   0.00   0.02     0.03  -0.00  -0.03    -0.02   0.01   0.00
    57   6    -0.01  -0.00   0.02     0.04   0.00  -0.01    -0.02   0.04  -0.01
    58   6     0.00  -0.01   0.02     0.03   0.01  -0.01    -0.02   0.03  -0.01
    59   6     0.02  -0.00   0.01    -0.01   0.02   0.02     0.01   0.02  -0.01
    60   6     0.01   0.02  -0.02    -0.00   0.02   0.04     0.02  -0.04   0.03
    61   6     0.00  -0.01  -0.00     0.01   0.04   0.03    -0.01   0.01  -0.03
    62   1    -0.05  -0.09   0.05     0.19   0.04   0.02     0.07   0.00   0.02
    63   1    -0.08   0.08  -0.31     0.12   0.12  -0.11     0.06  -0.08  -0.03
    64   1    -0.17  -0.04   0.39     0.09   0.15   0.12     0.11  -0.04   0.01
    65   1     0.00   0.04   0.02     0.09  -0.08  -0.02    -0.03   0.10   0.15
    66   1    -0.02   0.07  -0.19    -0.04  -0.15   0.00    -0.20   0.08  -0.14
    67   1    -0.02   0.01   0.14     0.01  -0.15  -0.04    -0.13  -0.09   0.32
    68   1    -0.00   0.01   0.00    -0.08  -0.02   0.09     0.06   0.01  -0.14
    69   1     0.01  -0.03  -0.05    -0.11   0.02  -0.13    -0.05   0.05   0.29
    70   1     0.03  -0.04   0.26    -0.16   0.01   0.17    -0.03   0.02  -0.22
    71   1     0.04  -0.03  -0.25    -0.13   0.03  -0.10     0.09   0.06  -0.00
    72   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.00     0.01  -0.02   0.03
    73   1     0.01   0.02   0.02    -0.03   0.03   0.02     0.08  -0.08  -0.02
    74   1     0.02  -0.01   0.01    -0.01  -0.01  -0.03     0.02   0.01   0.07
    75   1     0.02  -0.03   0.00    -0.02   0.01  -0.02     0.06  -0.01   0.07
    76   1     0.01  -0.04  -0.01    -0.00   0.01  -0.02     0.01  -0.02   0.06
    77   1    -0.02  -0.02  -0.00     0.03  -0.01  -0.02    -0.06   0.02   0.02
    78   1    -0.02   0.01   0.01     0.00   0.03   0.05    -0.02  -0.05  -0.10
    79   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02     0.00   0.07  -0.04
    80   1     0.03   0.02   0.00    -0.02   0.01   0.06    -0.03  -0.01   0.05
    81   1     0.06  -0.01  -0.03    -0.12  -0.10  -0.07    -0.07  -0.05  -0.01
    82   1     0.04  -0.01  -0.05     0.03   0.04   0.08     0.01   0.01   0.05
    83   1     0.08   0.02  -0.04     0.01   0.06   0.06    -0.01   0.03   0.03
    84   1     0.05   0.08  -0.05     0.04   0.06   0.09     0.02   0.04   0.05
    85   1    -0.05   0.05  -0.02     0.07   0.03   0.04     0.04   0.02   0.01
    86   1    -0.05   0.03   0.04    -0.07  -0.08  -0.14    -0.03  -0.02  -0.08
    87   1     0.00  -0.04   0.08     0.05   0.08   0.01     0.03   0.06  -0.01
    88   1     0.00  -0.01   0.02     0.05  -0.06  -0.02    -0.02   0.07  -0.06
    89   1    -0.03   0.04  -0.01     0.04  -0.04  -0.03     0.00  -0.09   0.08
    90   1    -0.01  -0.01   0.03     0.00  -0.01  -0.03    -0.03   0.04  -0.02
    91   1    -0.01  -0.01   0.04     0.04  -0.02   0.02    -0.05   0.11  -0.05
    92   1     0.00   0.01   0.02     0.02  -0.00  -0.03    -0.03   0.08  -0.02
    93   1     0.03  -0.00   0.01    -0.03   0.01   0.01     0.01   0.04  -0.02
    94   1     0.01   0.04  -0.04    -0.01   0.02   0.05     0.05  -0.09   0.06
    95   1     0.00  -0.01  -0.03     0.01   0.06   0.05    -0.02   0.02  -0.06
    96  17     0.00  -0.00  -0.00     0.00   0.01  -0.00     0.00  -0.01   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    397.5142               429.3814               430.9208
 Red. masses --      5.5648                 5.2658                 5.7570
 Frc consts  --      0.5181                 0.5720                 0.6299
 IR Inten    --      1.3847                 2.6611                 4.4509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.03   0.06   0.02     0.01   0.05  -0.02
     2   6     0.01   0.02   0.02    -0.02   0.06  -0.00     0.01   0.04   0.04
     3   6    -0.01   0.01   0.00    -0.02   0.06   0.02    -0.00   0.01  -0.03
     4   6     0.00  -0.04  -0.04    -0.02   0.07   0.02    -0.01   0.06  -0.00
     5   6     0.02  -0.05  -0.02    -0.04   0.11  -0.03    -0.02   0.08   0.06
     6   6     0.03  -0.03   0.04    -0.05   0.11   0.01    -0.01   0.10  -0.04
     7   6    -0.06   0.05   0.00     0.03   0.02  -0.00    -0.03  -0.03  -0.04
     8   6    -0.03   0.07  -0.08     0.01  -0.02  -0.01    -0.04  -0.07  -0.03
     9   6     0.02  -0.04   0.02     0.00  -0.04  -0.02    -0.02   0.00  -0.01
    10   6     0.01  -0.05  -0.01    -0.05  -0.02   0.01    -0.00   0.04  -0.02
    11   6    -0.08   0.07   0.02     0.04  -0.02   0.00    -0.03  -0.05   0.03
    12   6    -0.04   0.06   0.07     0.03  -0.02  -0.03    -0.05  -0.05  -0.01
    13   6    -0.02   0.09   0.14     0.02  -0.04  -0.02    -0.09  -0.09  -0.01
    14   6    -0.03   0.09  -0.12     0.01  -0.03   0.03    -0.09  -0.09   0.02
    15   7     0.03  -0.06   0.17     0.01  -0.06  -0.03     0.02   0.04   0.05
    16   6     0.04  -0.03  -0.07     0.02  -0.08   0.02     0.04   0.03   0.00
    17   6     0.01  -0.02  -0.04    -0.03  -0.07  -0.02     0.04   0.02   0.02
    18   7    -0.00  -0.05   0.05    -0.04  -0.08   0.01     0.01   0.02   0.00
    19   6     0.10   0.03  -0.17     0.09  -0.01   0.07     0.03   0.01  -0.06
    20   6     0.05   0.10   0.14     0.04   0.10  -0.06     0.06  -0.05   0.04
    21   6    -0.00   0.08   0.13    -0.01   0.09  -0.02     0.05  -0.05   0.03
    22   6    -0.02   0.07  -0.04    -0.06   0.05  -0.01     0.06  -0.03  -0.01
    23   7    -0.05  -0.05  -0.08    -0.03   0.02  -0.00    -0.01   0.02  -0.00
    24   7     0.04  -0.14  -0.16     0.01   0.02   0.02    -0.04  -0.02  -0.00
    25   7     0.02  -0.04   0.08     0.04  -0.09   0.11     0.01   0.05  -0.05
    26   6     0.02  -0.05  -0.05     0.00   0.01   0.03    -0.02  -0.01  -0.09
    27   6    -0.00   0.03   0.04     0.00  -0.00   0.01    -0.02  -0.03  -0.07
    28   6    -0.00   0.04   0.05     0.00  -0.00  -0.02    -0.01  -0.03   0.02
    29   6     0.02  -0.04  -0.04     0.00   0.01  -0.01    -0.02  -0.02   0.06
    30   6    -0.02  -0.02  -0.02    -0.01   0.01   0.06    -0.00   0.02   0.04
    31   6     0.01   0.01   0.02    -0.01   0.01   0.04     0.00   0.02   0.04
    32   6     0.01   0.01   0.02    -0.00   0.02  -0.03     0.01   0.01  -0.00
    33   6    -0.02  -0.02  -0.02    -0.01   0.02  -0.05     0.00   0.00  -0.02
    34   6     0.02  -0.02   0.00     0.03  -0.05   0.03     0.00   0.03  -0.05
    35   6    -0.00  -0.00  -0.04     0.02  -0.02  -0.01     0.01   0.01  -0.02
    36   6    -0.04   0.00  -0.04     0.01  -0.03   0.02     0.01   0.01   0.02
    37   6    -0.03  -0.03   0.00     0.02  -0.07   0.07     0.00   0.04   0.01
    38   6     0.01   0.01   0.03     0.00   0.02  -0.02    -0.02  -0.09   0.07
    39   6     0.03  -0.05  -0.04    -0.02   0.02  -0.02     0.07  -0.07   0.11
    40   6     0.00   0.02   0.03    -0.02   0.02  -0.04     0.09  -0.11   0.12
    41   6     0.00   0.03   0.03    -0.03   0.02  -0.02     0.09  -0.06   0.09
    42   6    -0.01   0.03   0.04    -0.01  -0.04   0.01     0.02   0.15  -0.05
    43   6    -0.01   0.02   0.02    -0.00  -0.03   0.03     0.03   0.11  -0.15
    44   6     0.01  -0.05  -0.06    -0.01  -0.02   0.04     0.02   0.09  -0.12
    45   6    -0.01   0.03   0.03     0.02  -0.03   0.01    -0.08   0.10  -0.02
    46   6     0.00   0.01   0.02     0.02   0.08  -0.06     0.01   0.03  -0.03
    47   6    -0.03  -0.02  -0.02     0.08   0.03  -0.10     0.03   0.02  -0.04
    48   6    -0.00   0.01   0.01     0.10   0.04  -0.11     0.04   0.03  -0.04
    49   6     0.00   0.01   0.02     0.10   0.02  -0.08     0.03  -0.00  -0.04
    50   6     0.01   0.01   0.02    -0.01  -0.11   0.06    -0.02  -0.06   0.02
    51   6     0.01   0.00   0.01    -0.02  -0.09   0.12     0.00  -0.04   0.06
    52   6    -0.02  -0.03  -0.02    -0.02  -0.08   0.10     0.00  -0.04   0.05
    53   6     0.01   0.01   0.01    -0.08  -0.04   0.05    -0.05  -0.03   0.01
    54   6    -0.02   0.02   0.02    -0.02   0.09  -0.05     0.01   0.02   0.05
    55   6     0.02  -0.00   0.04     0.02  -0.04   0.06    -0.05   0.05   0.04
    56   6     0.02   0.03  -0.00     0.00   0.00   0.04    -0.05   0.04   0.07
    57   6    -0.01  -0.00  -0.02    -0.03   0.08  -0.04    -0.04   0.01   0.06
    58   6    -0.03  -0.03  -0.03    -0.03   0.02  -0.08    -0.00  -0.07  -0.02
    59   6    -0.03  -0.03  -0.05    -0.01  -0.05  -0.03    -0.00  -0.05  -0.07
    60   6    -0.02  -0.07  -0.03    -0.00  -0.08  -0.00    -0.01  -0.01  -0.07
    61   6     0.00  -0.03  -0.04     0.00   0.04  -0.07     0.04  -0.05  -0.01
    62   1     0.00   0.03   0.01    -0.02   0.06  -0.05     0.01   0.05   0.09
    63   1     0.02  -0.06  -0.03    -0.05   0.13  -0.07    -0.02   0.07   0.13
    64   1     0.07  -0.04   0.06    -0.07   0.11  -0.00    -0.02   0.10  -0.07
    65   1    -0.08   0.09  -0.07     0.03  -0.04   0.04    -0.03  -0.05   0.08
    66   1    -0.02   0.09   0.19     0.02  -0.05  -0.01    -0.12  -0.09  -0.01
    67   1    -0.03   0.10  -0.27     0.02  -0.02   0.08    -0.08  -0.10   0.07
    68   1     0.03  -0.09   0.22     0.00  -0.07  -0.04     0.01   0.06   0.05
    69   1     0.17   0.02  -0.29     0.19  -0.03   0.13    -0.01   0.01  -0.14
    70   1     0.10   0.15   0.24     0.10   0.17  -0.07     0.04  -0.08   0.04
    71   1    -0.08   0.08  -0.10    -0.17   0.06   0.07     0.12  -0.04  -0.08
    72   1     0.00   0.03   0.05    -0.00   0.03  -0.00    -0.02  -0.10   0.05
    73   1     0.05  -0.11  -0.09    -0.03   0.02  -0.01     0.11  -0.02   0.07
    74   1    -0.01   0.05   0.05    -0.02   0.02  -0.04     0.08  -0.13   0.09
    75   1    -0.01   0.06   0.06    -0.03   0.03  -0.02     0.12  -0.11   0.10
    76   1    -0.03   0.07   0.09     0.00  -0.07  -0.01    -0.01   0.28   0.02
    77   1    -0.02   0.05   0.05     0.01  -0.04   0.02     0.01   0.11  -0.14
    78   1     0.03  -0.10  -0.11    -0.02  -0.01   0.03     0.08   0.08  -0.07
    79   1    -0.02   0.07   0.05     0.03  -0.05  -0.02    -0.11   0.19   0.08
    80   1     0.01   0.01   0.02     0.04   0.10  -0.03     0.01   0.03  -0.04
    81   1    -0.05  -0.04  -0.04     0.09  -0.02  -0.07     0.04  -0.00  -0.03
    82   1     0.01   0.02   0.03     0.09   0.06  -0.09     0.04   0.04  -0.03
    83   1     0.01   0.03   0.04     0.13   0.05  -0.07     0.04   0.00  -0.04
    84   1     0.03   0.02   0.05    -0.06  -0.17   0.03    -0.07  -0.12  -0.02
    85   1     0.02   0.01   0.03    -0.03  -0.08   0.11    -0.00  -0.04   0.06
    86   1    -0.03  -0.05  -0.05     0.03  -0.09   0.06     0.02  -0.04   0.03
    87   1     0.02   0.03   0.02    -0.12  -0.09  -0.01    -0.09  -0.07  -0.05
    88   1    -0.04   0.03   0.05    -0.06   0.21  -0.14     0.02   0.01   0.06
    89   1     0.04  -0.03   0.07     0.02  -0.07   0.07    -0.07   0.04   0.00
    90   1     0.04   0.05  -0.02    -0.00   0.02   0.03    -0.04   0.03   0.07
    91   1     0.01  -0.03  -0.05    -0.07   0.21  -0.14    -0.05   0.01   0.09
    92   1    -0.03  -0.05  -0.06    -0.06   0.08  -0.16     0.01  -0.14   0.01
    93   1    -0.03  -0.00  -0.07    -0.01  -0.04  -0.04     0.01  -0.06  -0.05
    94   1    -0.03  -0.09  -0.00    -0.01  -0.11   0.03    -0.04   0.01  -0.06
    95   1     0.01  -0.02  -0.02    -0.02   0.12  -0.12     0.06  -0.11   0.04
    96  17    -0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --    434.6674               435.0031               435.3945
 Red. masses --      3.6157                 3.3890                 3.2683
 Frc consts  --      0.4025                 0.3778                 0.3650
 IR Inten    --      2.5315                 0.6591                 6.0563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.06    -0.01  -0.02   0.03     0.00  -0.00   0.01
     2   6    -0.02  -0.01   0.12     0.00  -0.02  -0.02     0.01  -0.00  -0.01
     3   6    -0.00   0.02  -0.11     0.02  -0.01   0.03     0.00  -0.01   0.02
     4   6    -0.00   0.00  -0.05     0.01   0.01   0.02     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.17    -0.00   0.02  -0.05     0.00   0.00  -0.02
     6   6    -0.01   0.00  -0.13    -0.02  -0.01   0.03     0.00  -0.00   0.03
     7   6     0.01   0.02  -0.12     0.02  -0.01   0.02    -0.00  -0.00   0.02
     8   6     0.01   0.02  -0.06     0.01  -0.02   0.01    -0.00  -0.00   0.00
     9   6     0.01   0.00  -0.07     0.00  -0.01   0.01    -0.00   0.00  -0.00
    10   6    -0.01  -0.00  -0.07     0.00  -0.00   0.02     0.00   0.00  -0.00
    11   6     0.02  -0.00   0.12     0.01   0.02  -0.03    -0.01   0.00  -0.01
    12   6     0.02   0.01  -0.05    -0.01   0.03  -0.01    -0.00  -0.00   0.01
    13   6     0.03   0.02  -0.12    -0.02   0.01   0.01    -0.00  -0.00   0.03
    14   6     0.02   0.01   0.16    -0.01  -0.01  -0.02    -0.00   0.00  -0.02
    15   7    -0.01  -0.02   0.08     0.00  -0.00  -0.02    -0.00   0.00   0.00
    16   6    -0.00  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.02   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.00
    18   7    -0.01  -0.02   0.06     0.00   0.00  -0.01     0.00  -0.00   0.01
    19   6     0.01  -0.00  -0.09    -0.01  -0.00   0.03    -0.00   0.00   0.00
    20   6    -0.00   0.02   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    21   6    -0.01   0.02   0.04    -0.01   0.00  -0.01     0.00   0.00  -0.00
    22   6    -0.02   0.01  -0.06    -0.01   0.01   0.01     0.00   0.00  -0.00
    23   7     0.01   0.01   0.01    -0.00  -0.00   0.01    -0.01  -0.01  -0.02
    24   7     0.00   0.02   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.02
    25   7    -0.00  -0.01   0.02    -0.00  -0.02   0.01     0.00   0.00  -0.00
    26   6     0.00   0.02   0.04     0.02  -0.04  -0.03    -0.01   0.02   0.02
    27   6     0.01   0.00   0.02     0.03  -0.08  -0.07    -0.03   0.08   0.08
    28   6     0.01  -0.02  -0.03     0.03  -0.07  -0.08    -0.03   0.08   0.09
    29   6     0.00  -0.01  -0.03     0.01  -0.03  -0.04    -0.01   0.03   0.04
    30   6     0.02   0.03   0.02     0.02   0.02   0.03     0.02   0.02   0.02
    31   6     0.02   0.02   0.03     0.05   0.06   0.06     0.06   0.07   0.08
    32   6     0.02  -0.00   0.02     0.05   0.07   0.06     0.07   0.07   0.09
    33   6     0.01  -0.01   0.01     0.02   0.04   0.02     0.03   0.03   0.04
    34   6     0.01  -0.00   0.00    -0.02   0.01   0.01     0.00   0.00  -0.00
    35   6     0.00   0.01  -0.02    -0.02   0.03  -0.02     0.00   0.00  -0.00
    36   6    -0.01   0.02  -0.02    -0.02   0.03  -0.04     0.00   0.00   0.00
    37   6    -0.01   0.01  -0.01    -0.01   0.00  -0.03     0.00   0.00   0.00
    38   6    -0.01   0.03   0.00    -0.02   0.08   0.07     0.02  -0.08  -0.07
    39   6    -0.01   0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.02
    40   6    -0.01   0.01  -0.04     0.01  -0.04  -0.07    -0.01   0.05   0.07
    41   6    -0.02   0.03  -0.00    -0.03   0.09   0.07     0.03  -0.08  -0.07
    42   6    -0.00  -0.04   0.01    -0.03   0.06   0.10     0.03  -0.06  -0.08
    43   6    -0.01  -0.03   0.03     0.01  -0.07  -0.04    -0.02   0.07   0.05
    44   6    -0.01  -0.01   0.04    -0.00  -0.04  -0.01    -0.00   0.02   0.00
    45   6     0.02  -0.03   0.00    -0.01   0.07   0.09     0.02  -0.06  -0.07
    46   6    -0.01  -0.03  -0.01    -0.05  -0.04  -0.07    -0.06  -0.07  -0.07
    47   6    -0.00   0.00   0.01     0.03   0.01   0.00     0.01   0.01   0.02
    48   6    -0.01   0.01   0.03     0.05   0.04   0.03     0.04   0.05   0.06
    49   6    -0.03  -0.03  -0.00    -0.04  -0.05  -0.08    -0.07  -0.07  -0.08
    50   6    -0.02  -0.02  -0.04    -0.06  -0.06  -0.06    -0.06  -0.06  -0.08
    51   6     0.02   0.02   0.00     0.03   0.03   0.06     0.05   0.06   0.05
    52   6     0.02   0.01   0.01     0.01   0.01   0.02     0.01   0.02   0.01
    53   6    -0.02  -0.03  -0.04    -0.06  -0.05  -0.06    -0.05  -0.06  -0.08
    54   6     0.01  -0.02   0.01    -0.00  -0.05   0.01     0.00   0.00   0.00
    55   6     0.01   0.00  -0.00     0.01  -0.01  -0.03    -0.00   0.00   0.00
    56   6     0.00   0.02  -0.01     0.02   0.00  -0.06    -0.00   0.00   0.00
    57   6     0.01  -0.02   0.01     0.03  -0.05  -0.00    -0.00   0.00   0.00
    58   6     0.00  -0.02   0.00     0.01   0.00   0.05     0.00  -0.00  -0.00
    59   6    -0.01   0.01  -0.01    -0.00   0.05   0.02    -0.00  -0.00  -0.00
    60   6    -0.00  -0.01   0.00     0.00   0.02   0.03    -0.00  -0.00  -0.00
    61   6     0.01  -0.01   0.01    -0.02  -0.01   0.03     0.00  -0.00  -0.00
    62   1    -0.03  -0.03   0.33     0.01  -0.03  -0.09     0.01  -0.00  -0.06
    63   1    -0.02  -0.01   0.41    -0.01   0.04  -0.11     0.00   0.00  -0.06
    64   1    -0.01   0.01  -0.19    -0.04  -0.00   0.03    -0.00   0.00   0.03
    65   1     0.01  -0.03   0.32     0.03   0.04  -0.03    -0.01   0.00  -0.06
    66   1     0.03   0.02  -0.17    -0.05   0.02   0.04     0.00  -0.00   0.02
    67   1     0.03  -0.00   0.38    -0.03  -0.03  -0.05    -0.00   0.00  -0.06
    68   1    -0.01  -0.03   0.09     0.01  -0.01  -0.02    -0.00   0.00   0.01
    69   1     0.03  -0.00  -0.17    -0.01  -0.00   0.06    -0.00   0.00   0.00
    70   1     0.01   0.03   0.09    -0.01   0.01  -0.02    -0.00  -0.00   0.00
    71   1    -0.04   0.01  -0.14    -0.01   0.01   0.04     0.00   0.00   0.00
    72   1    -0.02   0.08   0.05    -0.07   0.21   0.21     0.07  -0.21  -0.21
    73   1    -0.03   0.02  -0.00     0.00  -0.01  -0.01     0.01  -0.01  -0.01
    74   1    -0.01   0.02  -0.03     0.03  -0.07  -0.09    -0.03   0.08   0.10
    75   1    -0.04   0.08   0.05    -0.07   0.21   0.19     0.07  -0.21  -0.19
    76   1     0.01  -0.09  -0.03    -0.07   0.17   0.22     0.06  -0.16  -0.19
    77   1     0.00  -0.05   0.01     0.02  -0.10  -0.06    -0.03   0.10   0.08
    78   1    -0.03  -0.01   0.03    -0.02  -0.02  -0.00     0.01  -0.00  -0.01
    79   1     0.03  -0.06  -0.04    -0.05   0.20   0.21     0.05  -0.18  -0.19
    80   1    -0.02  -0.04  -0.04    -0.14  -0.14  -0.18    -0.17  -0.19  -0.22
    81   1    -0.01   0.02   0.01     0.02  -0.01  -0.00    -0.01  -0.01  -0.00
    82   1     0.00   0.02   0.04     0.07   0.06   0.05     0.07   0.07   0.10
    83   1    -0.05  -0.05  -0.01    -0.11  -0.14  -0.19    -0.17  -0.18  -0.20
    84   1    -0.07  -0.07  -0.10    -0.13  -0.14  -0.16    -0.15  -0.15  -0.19
    85   1     0.02   0.02   0.00     0.05   0.06   0.08     0.07   0.09   0.09
    86   1     0.01   0.01   0.01     0.00   0.00   0.01    -0.01   0.00  -0.01
    87   1    -0.06  -0.08  -0.10    -0.14  -0.15  -0.17    -0.15  -0.17  -0.20
    88   1     0.01  -0.05   0.05     0.02  -0.11   0.06     0.00   0.00   0.00
    89   1     0.01  -0.01   0.01     0.03  -0.01  -0.01    -0.00  -0.00   0.00
    90   1     0.00   0.02  -0.02     0.01   0.02  -0.07    -0.00   0.00   0.00
    91   1     0.02  -0.06   0.03     0.06  -0.12   0.03    -0.00   0.00   0.00
    92   1     0.01  -0.03  -0.00     0.02  -0.02   0.09     0.00  -0.01   0.00
    93   1    -0.01   0.02  -0.02    -0.01   0.07   0.01    -0.00  -0.00  -0.00
    94   1    -0.01  -0.01   0.01     0.03   0.01   0.02    -0.00  -0.00  -0.00
    95   1     0.01  -0.01   0.02    -0.01  -0.05   0.06     0.00  -0.00   0.00
    96  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --    435.7015               438.0291               444.8049
 Red. masses --      3.5912                 5.3039                 5.2098
 Frc consts  --      0.4017                 0.5996                 0.6073
 IR Inten    --      6.0181                10.0210                 7.6502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.03  -0.01   0.03
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.02    -0.04   0.01  -0.01
     3   6     0.00  -0.01  -0.01     0.01   0.00  -0.02    -0.02   0.04   0.00
     4   6     0.00  -0.00  -0.01     0.01  -0.00  -0.00    -0.01   0.06   0.02
     5   6     0.01  -0.01   0.01    -0.00  -0.00   0.03    -0.03   0.07  -0.03
     6   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.06   0.04   0.01
     7   6    -0.01  -0.00  -0.00     0.02   0.00  -0.02     0.02   0.04  -0.02
     8   6    -0.00   0.01   0.01     0.02   0.00  -0.02     0.03   0.06  -0.00
     9   6    -0.01   0.01   0.01     0.03  -0.01  -0.01     0.02   0.01   0.00
    10   6     0.00   0.01  -0.01     0.01  -0.00  -0.01    -0.03   0.00   0.03
    11   6    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.04  -0.03  -0.00
    12   6    -0.00  -0.00   0.01    -0.01   0.01   0.00     0.04  -0.03  -0.01
    13   6     0.00   0.00  -0.00    -0.00   0.02  -0.00     0.09   0.00  -0.02
    14   6     0.00   0.01  -0.01     0.00   0.01   0.01     0.07   0.06   0.03
    15   7    -0.01   0.01   0.01     0.03  -0.01   0.03    -0.02  -0.06  -0.03
    16   6    -0.01   0.01  -0.01     0.02  -0.00  -0.01    -0.00  -0.10  -0.01
    17   6    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.04  -0.09  -0.04
    18   7     0.00   0.01  -0.01     0.00   0.00   0.01    -0.01  -0.07   0.00
    19   6    -0.01   0.00  -0.03     0.02  -0.01  -0.03     0.07  -0.03   0.07
    20   6    -0.01  -0.02   0.04     0.01   0.01   0.03     0.02   0.11  -0.06
    21   6     0.01  -0.02   0.02    -0.03   0.01   0.02    -0.03   0.10  -0.03
    22   6     0.00  -0.02   0.01    -0.01   0.02  -0.01    -0.08   0.04   0.00
    23   7     0.01  -0.01  -0.00     0.00   0.02   0.01     0.01  -0.00   0.02
    24   7    -0.00   0.00   0.01    -0.01  -0.02  -0.02    -0.01   0.02   0.05
    25   7    -0.01   0.04  -0.04    -0.04  -0.01   0.00     0.02  -0.08   0.11
    26   6    -0.00  -0.01  -0.01    -0.02   0.00  -0.04    -0.05   0.01  -0.05
    27   6     0.01  -0.03  -0.04    -0.03   0.01  -0.00    -0.05  -0.04  -0.05
    28   6     0.01  -0.03  -0.03    -0.04   0.01   0.04    -0.05  -0.03   0.00
    29   6     0.00  -0.01  -0.01    -0.02  -0.02   0.04    -0.03  -0.01   0.07
    30   6     0.02   0.00  -0.02    -0.01   0.01   0.03     0.04  -0.03  -0.07
    31   6     0.03   0.01   0.01    -0.02   0.00   0.00     0.04  -0.05  -0.05
    32   6     0.03   0.01   0.04    -0.02  -0.00  -0.03     0.05  -0.03   0.03
    33   6     0.02  -0.00   0.04    -0.01   0.01  -0.03     0.03  -0.02   0.08
    34   6     0.02  -0.04   0.01    -0.04  -0.04   0.12     0.02  -0.01   0.02
    35   6     0.05  -0.12   0.09    -0.04  -0.08   0.09    -0.01   0.05  -0.06
    36   6     0.05  -0.11   0.11    -0.05  -0.06  -0.02    -0.02   0.03  -0.05
    37   6     0.02  -0.02   0.04    -0.04  -0.03  -0.09    -0.00  -0.05   0.03
    38   6    -0.01   0.02   0.03    -0.02  -0.06   0.00    -0.05  -0.05   0.00
    39   6     0.00  -0.01  -0.00     0.03  -0.03   0.05     0.01  -0.01   0.05
    40   6     0.01  -0.03  -0.02     0.04  -0.03   0.08     0.05  -0.07   0.06
    41   6    -0.01   0.03   0.03     0.05  -0.07   0.03     0.04  -0.07   0.06
    42   6    -0.01   0.04   0.03     0.01   0.05  -0.05    -0.01   0.10  -0.06
    43   6     0.01  -0.02  -0.03     0.00   0.07  -0.05     0.02   0.07  -0.10
    44   6     0.00   0.00  -0.01     0.00   0.03  -0.05     0.01   0.05  -0.04
    45   6    -0.01   0.03   0.03    -0.04   0.01  -0.02    -0.07   0.02  -0.01
    46   6    -0.02  -0.06  -0.01     0.01   0.04  -0.00     0.02  -0.08   0.00
    47   6    -0.02  -0.01   0.05     0.02   0.01  -0.03    -0.02  -0.01   0.06
    48   6    -0.03  -0.00   0.07     0.03   0.00  -0.05    -0.07  -0.04   0.09
    49   6    -0.07  -0.04   0.01     0.04   0.02  -0.02    -0.08  -0.06   0.06
    50   6    -0.01   0.03  -0.06    -0.01  -0.03   0.03     0.05   0.09  -0.07
    51   6     0.02   0.06  -0.04    -0.01  -0.04   0.03     0.01   0.08  -0.10
    52   6     0.01   0.04  -0.04    -0.00  -0.02   0.03     0.00   0.05  -0.06
    53   6     0.02  -0.01  -0.04    -0.03   0.00   0.02     0.08  -0.01  -0.01
    54   6    -0.02   0.12  -0.07    -0.06  -0.07  -0.08    -0.00  -0.01  -0.01
    55   6    -0.01  -0.00   0.03     0.07  -0.05  -0.11     0.03  -0.04   0.02
    56   6     0.01  -0.07   0.10     0.12  -0.11  -0.14     0.01   0.04  -0.04
    57   6    -0.05   0.13  -0.07     0.09  -0.06  -0.15     0.01  -0.01  -0.00
    58   6    -0.04   0.08  -0.11    -0.01   0.19   0.07     0.00  -0.03   0.01
    59   6     0.02  -0.11   0.04     0.02   0.09   0.19    -0.03   0.03  -0.04
    60   6     0.00  -0.03  -0.01     0.01   0.06   0.13    -0.01  -0.04   0.01
    61   6    -0.01   0.09  -0.09    -0.12   0.10   0.00     0.01  -0.02   0.00
    62   1     0.00  -0.01   0.02    -0.00  -0.02   0.06    -0.04  -0.00  -0.05
    63   1     0.01  -0.01   0.04    -0.01   0.01   0.08    -0.04   0.10  -0.07
    64   1    -0.00  -0.01  -0.00    -0.01  -0.00  -0.04    -0.11   0.05   0.01
    65   1    -0.01  -0.01  -0.01     0.02   0.02   0.04     0.03  -0.05   0.05
    66   1     0.01  -0.00  -0.00    -0.00   0.02  -0.01     0.16  -0.01  -0.00
    67   1     0.00   0.01  -0.02    -0.01  -0.00   0.03     0.08   0.08   0.09
    68   1    -0.01   0.02   0.01     0.03  -0.01   0.03    -0.04  -0.08  -0.03
    69   1    -0.03   0.01  -0.07     0.02  -0.01  -0.06     0.20  -0.06   0.16
    70   1    -0.01  -0.03   0.03     0.03   0.04   0.05     0.08   0.19  -0.05
    71   1     0.01  -0.02  -0.05    -0.01   0.02  -0.05    -0.22   0.06   0.13
    72   1    -0.03   0.07   0.08    -0.01  -0.10  -0.06    -0.04  -0.07  -0.04
    73   1     0.00   0.00   0.01     0.06  -0.01   0.01     0.04   0.05   0.03
    74   1     0.02  -0.04  -0.03     0.04  -0.03   0.08     0.07  -0.09   0.04
    75   1    -0.02   0.07   0.07     0.08  -0.13   0.01     0.06  -0.12   0.05
    76   1    -0.03   0.09   0.07     0.00   0.08  -0.06    -0.02   0.18  -0.05
    77   1     0.01  -0.03  -0.04    -0.00   0.09  -0.03     0.03   0.07  -0.10
    78   1     0.00   0.01   0.00     0.05   0.02  -0.03     0.06   0.05   0.02
    79   1    -0.03   0.08   0.08    -0.05   0.02  -0.01    -0.09   0.05   0.07
    80   1    -0.06  -0.11  -0.07     0.03   0.07   0.04    -0.02  -0.12  -0.06
    81   1    -0.04   0.02   0.02     0.03  -0.01  -0.01    -0.04   0.05   0.02
    82   1    -0.02  -0.00   0.08     0.02   0.00  -0.05    -0.10  -0.05   0.07
    83   1    -0.12  -0.10  -0.03     0.08   0.06   0.01    -0.14  -0.11   0.04
    84   1    -0.02   0.03  -0.09    -0.02  -0.05   0.03     0.10   0.18  -0.06
    85   1     0.04   0.07  -0.02    -0.02  -0.05   0.02     0.01   0.10  -0.09
    86   1    -0.02   0.04  -0.02     0.02  -0.02   0.02    -0.06   0.06  -0.00
    87   1     0.00  -0.03  -0.06    -0.03  -0.00   0.00     0.12   0.02   0.07
    88   1    -0.08   0.30  -0.23    -0.07  -0.07  -0.05    -0.01  -0.00   0.01
    89   1    -0.03   0.02  -0.01     0.13   0.02  -0.04     0.05  -0.07   0.05
    90   1     0.03  -0.12   0.14     0.13  -0.16  -0.11    -0.01   0.08  -0.08
    91   1    -0.11   0.31  -0.18     0.13  -0.12  -0.18     0.02  -0.02  -0.02
    92   1    -0.09   0.23  -0.25    -0.06   0.38  -0.02     0.01  -0.08   0.03
    93   1     0.04  -0.17   0.08     0.02   0.09   0.19    -0.03   0.07  -0.07
    94   1    -0.03   0.01  -0.03     0.10   0.06   0.05     0.00  -0.08   0.05
    95   1    -0.06   0.27  -0.23    -0.17   0.26  -0.15     0.02  -0.05   0.05
    96  17     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --    452.8892               458.7085               459.8839
 Red. masses --      5.3541                 3.7650                 3.3402
 Frc consts  --      0.6470                 0.4668                 0.4162
 IR Inten    --     19.3652                 3.7471                40.4091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.02   0.01    -0.03  -0.07  -0.00    -0.00  -0.00   0.01
     2   6    -0.00  -0.04  -0.04     0.02  -0.08  -0.01     0.01  -0.01   0.00
     3   6     0.07   0.02   0.01     0.08  -0.02  -0.02     0.01  -0.00  -0.00
     4   6     0.03   0.14   0.06     0.06   0.01  -0.00     0.01   0.00   0.01
     5   6    -0.06   0.20   0.01     0.02   0.01   0.01     0.00   0.00  -0.00
     6   6    -0.14   0.12  -0.03    -0.04  -0.06  -0.01    -0.00  -0.00  -0.00
     7   6     0.07  -0.04  -0.00     0.07  -0.01   0.01     0.00  -0.00  -0.01
     8   6    -0.01  -0.14  -0.06     0.04  -0.01   0.01     0.00  -0.01  -0.01
     9   6    -0.02  -0.03  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
    10   6    -0.02   0.04   0.02     0.03   0.00   0.01     0.00   0.00   0.01
    11   6     0.03   0.04   0.03     0.05   0.05   0.01    -0.00   0.00   0.00
    12   6    -0.06   0.06  -0.00     0.01   0.05   0.01    -0.01   0.00   0.01
    13   6    -0.17  -0.05   0.04     0.01   0.05   0.02    -0.01   0.00   0.01
    14   6    -0.13  -0.17  -0.02     0.02  -0.00  -0.02    -0.01  -0.01  -0.00
    15   7     0.01   0.01   0.03    -0.04  -0.03  -0.00     0.00   0.00   0.02
    16   6     0.03  -0.00   0.02    -0.06  -0.01  -0.01    -0.00   0.00  -0.02
    17   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.02     0.00   0.01  -0.02
    18   7    -0.01  -0.01  -0.03     0.02   0.01  -0.00     0.00   0.01   0.00
    19   6     0.04  -0.00  -0.02    -0.07   0.00   0.01    -0.00  -0.00  -0.01
    20   6     0.04  -0.00   0.01    -0.08   0.03  -0.00    -0.00  -0.01   0.02
    21   6     0.01  -0.00   0.03    -0.04   0.02  -0.00    -0.00  -0.01   0.01
    22   6     0.01  -0.01   0.01    -0.04   0.01   0.01    -0.00  -0.00   0.00
    23   7     0.04   0.05   0.11     0.03   0.01   0.06    -0.00   0.00   0.00
    24   7     0.01  -0.05  -0.11     0.02  -0.02  -0.04    -0.01  -0.01  -0.01
    25   7    -0.00   0.01   0.00    -0.01  -0.01   0.01    -0.02   0.01  -0.01
    26   6     0.05  -0.02   0.00     0.01  -0.04  -0.06    -0.03   0.06   0.06
    27   6     0.04   0.05   0.07    -0.01  -0.02  -0.01    -0.02   0.04   0.04
    28   6     0.02   0.03   0.04    -0.03   0.02   0.04     0.01  -0.04  -0.04
    29   6     0.01  -0.02  -0.07    -0.02   0.01   0.04     0.02  -0.07  -0.06
    30   6     0.06  -0.01  -0.02     0.11   0.10   0.13    -0.02  -0.02  -0.01
    31   6     0.02  -0.07  -0.07     0.05   0.05   0.05    -0.01  -0.01  -0.01
    32   6     0.01  -0.04  -0.03    -0.07  -0.06  -0.09     0.00   0.01   0.01
    33   6     0.03   0.01   0.08    -0.08  -0.07  -0.09     0.01   0.02   0.02
    34   6     0.00  -0.01   0.02     0.00   0.03  -0.04    -0.06   0.14  -0.10
    35   6    -0.00  -0.02   0.01     0.01   0.03  -0.02    -0.04   0.08  -0.06
    36   6    -0.02   0.00  -0.01     0.02  -0.02   0.02     0.02  -0.10   0.07
    37   6    -0.02   0.01  -0.02     0.02  -0.03   0.04     0.03  -0.14   0.09
    38   6     0.03   0.01   0.01    -0.01  -0.02  -0.02    -0.02   0.02   0.05
    39   6     0.03  -0.03  -0.03     0.00   0.01   0.01     0.02  -0.04  -0.02
    40   6    -0.01   0.06  -0.00     0.01   0.01   0.02     0.02  -0.02   0.02
    41   6     0.00   0.03  -0.04     0.01  -0.04  -0.01     0.00   0.03   0.05
    42   6     0.01  -0.07   0.02    -0.02   0.03   0.01     0.02  -0.02  -0.05
    43   6    -0.03  -0.02   0.08    -0.01   0.01  -0.00     0.00   0.03  -0.01
    44   6    -0.01  -0.05   0.00     0.00  -0.04  -0.02    -0.01   0.04   0.01
    45   6     0.05  -0.01   0.00    -0.02   0.01   0.03     0.00  -0.03  -0.05
    46   6     0.02  -0.04  -0.02     0.04   0.05   0.07    -0.01  -0.00  -0.01
    47   6     0.03   0.01   0.04    -0.03  -0.04  -0.02     0.01   0.01   0.00
    48   6    -0.04  -0.05   0.02    -0.02  -0.03  -0.01     0.01   0.00  -0.01
    49   6    -0.02  -0.03   0.05     0.04   0.06   0.06    -0.00  -0.01  -0.02
    50   6     0.04   0.07  -0.04    -0.06  -0.03  -0.07     0.01   0.00   0.02
    51   6    -0.02   0.03  -0.09    -0.01   0.03  -0.02    -0.00  -0.01   0.00
    52   6     0.01   0.05  -0.01     0.04   0.08   0.04    -0.01  -0.01  -0.00
    53   6     0.06  -0.01  -0.00    -0.04  -0.05  -0.09     0.00   0.01   0.01
    54   6    -0.01  -0.02   0.01     0.01   0.03  -0.03    -0.04   0.06  -0.08
    55   6     0.00   0.01  -0.01     0.01  -0.02   0.01     0.04  -0.07   0.01
    56   6     0.01  -0.01  -0.01    -0.00   0.00   0.01     0.04  -0.04  -0.02
    57   6     0.01  -0.02  -0.01    -0.01   0.04  -0.01     0.00   0.06  -0.10
    58   6    -0.01   0.02   0.00     0.02  -0.03  -0.00     0.03  -0.04   0.09
    59   6    -0.00   0.00   0.01    -0.00  -0.01  -0.02     0.00   0.04   0.03
    60   6    -0.00  -0.01   0.01    -0.00   0.02  -0.01    -0.01   0.08  -0.02
    61   6    -0.01   0.01  -0.01     0.02  -0.01   0.02    -0.00  -0.07   0.08
    62   1     0.01  -0.08  -0.06     0.04  -0.14   0.02     0.01  -0.01  -0.00
    63   1    -0.09   0.30   0.01    -0.00   0.08   0.04    -0.00   0.01  -0.01
    64   1    -0.28   0.15  -0.04    -0.09  -0.05  -0.01    -0.01  -0.00  -0.01
    65   1     0.07   0.09   0.04     0.07   0.08  -0.03     0.00   0.01   0.02
    66   1    -0.32  -0.02   0.05    -0.03   0.06   0.01    -0.02   0.00   0.01
    67   1    -0.17  -0.22  -0.04    -0.01  -0.03  -0.05    -0.01  -0.01   0.00
    68   1    -0.00   0.02   0.02    -0.04  -0.04   0.00     0.00   0.00   0.02
    69   1     0.04  -0.00  -0.06    -0.05  -0.00   0.03    -0.01  -0.00  -0.01
    70   1     0.05   0.01  -0.02    -0.09   0.02   0.00    -0.00  -0.01   0.02
    71   1     0.01  -0.01  -0.02    -0.09   0.02   0.04     0.01  -0.00   0.02
    72   1     0.03   0.02   0.02     0.01  -0.08  -0.10    -0.06   0.13   0.15
    73   1     0.02  -0.08  -0.05     0.02  -0.00  -0.02     0.03  -0.02  -0.01
    74   1    -0.05   0.10   0.04     0.02   0.00   0.02     0.00   0.02   0.05
    75   1    -0.00   0.04  -0.02     0.04  -0.11  -0.05    -0.02   0.12   0.15
    76   1     0.02  -0.14   0.03    -0.04   0.09   0.08     0.05  -0.11  -0.15
    77   1    -0.05   0.01   0.11    -0.01   0.05   0.03     0.01   0.00  -0.04
    78   1    -0.03  -0.07  -0.06     0.01  -0.04  -0.02     0.01   0.02   0.00
    79   1     0.06  -0.02  -0.06    -0.04   0.08   0.10     0.03  -0.14  -0.15
    80   1     0.01  -0.05  -0.04     0.16   0.19   0.26    -0.04  -0.03  -0.04
    81   1     0.04   0.07   0.04     0.00  -0.01   0.02     0.01  -0.00   0.00
    82   1    -0.10  -0.08  -0.02     0.02   0.00   0.02     0.00  -0.01  -0.02
    83   1    -0.05  -0.06   0.02     0.18   0.21   0.20    -0.02  -0.03  -0.05
    84   1     0.08   0.14  -0.04    -0.19  -0.16  -0.24     0.03   0.03   0.04
    85   1    -0.05   0.02  -0.12    -0.05  -0.04  -0.09     0.00  -0.00   0.01
    86   1    -0.01   0.09   0.06     0.03   0.07   0.03     0.00  -0.00  -0.00
    87   1     0.08   0.00   0.08    -0.18  -0.21  -0.26     0.03   0.04   0.04
    88   1    -0.01  -0.04   0.04    -0.01   0.10  -0.09    -0.11   0.28  -0.26
    89   1     0.01   0.01  -0.00     0.00  -0.02  -0.00     0.04  -0.02   0.01
    90   1     0.02  -0.02  -0.01    -0.02   0.02  -0.00     0.02   0.02  -0.07
    91   1     0.02  -0.05   0.00    -0.03   0.11  -0.05    -0.05   0.27  -0.26
    92   1    -0.02   0.05  -0.02     0.04  -0.10   0.04     0.10  -0.23   0.26
    93   1     0.00   0.01   0.01    -0.01  -0.03  -0.00     0.03  -0.03   0.10
    94   1     0.01  -0.00  -0.00    -0.02   0.01   0.01     0.02   0.06  -0.02
    95   1    -0.02   0.04  -0.04     0.04  -0.07   0.08     0.06  -0.29   0.25
    96  17     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --    460.6086               462.0353               476.2404
 Red. masses --      3.4492                 4.9314                 3.2796
 Frc consts  --      0.4312                 0.6203                 0.4383
 IR Inten    --      8.1050                 9.0685                 0.9080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.04   0.10  -0.01    -0.01   0.01  -0.12
     2   6    -0.01   0.03  -0.02    -0.04   0.11   0.01    -0.00  -0.00   0.08
     3   6    -0.03   0.01   0.02    -0.11   0.03  -0.00     0.01   0.01  -0.12
     4   6    -0.02   0.00   0.01    -0.08   0.02  -0.04     0.01   0.03  -0.18
     5   6    -0.01   0.01  -0.04    -0.04   0.01   0.00    -0.01   0.02   0.13
     6   6     0.01   0.03   0.04     0.04   0.10   0.03    -0.01   0.02  -0.05
     7   6    -0.03   0.00   0.01    -0.09   0.00   0.02     0.01  -0.01   0.10
     8   6    -0.02   0.01   0.01    -0.05  -0.00   0.03    -0.00  -0.02   0.18
     9   6    -0.00   0.00   0.02    -0.01  -0.01  -0.00    -0.00  -0.01   0.04
    10   6    -0.01   0.00   0.02    -0.05   0.01  -0.02    -0.00   0.00  -0.05
    11   6    -0.02  -0.02  -0.03    -0.06  -0.05  -0.01     0.00   0.00  -0.07
    12   6    -0.01  -0.03   0.01    -0.01  -0.07  -0.00    -0.00  -0.00   0.11
    13   6    -0.00  -0.03   0.02    -0.03  -0.08  -0.02    -0.01  -0.01   0.04
    14   6    -0.01   0.00  -0.02    -0.04  -0.02  -0.00    -0.01  -0.01  -0.12
    15   7     0.01   0.01  -0.02     0.06   0.04  -0.00     0.00  -0.00  -0.05
    16   6     0.03  -0.00   0.00     0.09   0.01  -0.00     0.00  -0.00  -0.06
    17   6     0.01   0.00  -0.00     0.03   0.02   0.01     0.00  -0.01   0.01
    18   7    -0.00  -0.01  -0.01    -0.03  -0.02   0.02    -0.00  -0.01   0.07
    19   6     0.04  -0.00   0.02     0.11  -0.01   0.01     0.00  -0.01   0.07
    20   6     0.04  -0.00  -0.02     0.13  -0.03   0.00    -0.00   0.01  -0.03
    21   6     0.02  -0.00  -0.01     0.05  -0.03  -0.01     0.00   0.01  -0.09
    22   6     0.02  -0.00   0.01     0.05  -0.01  -0.01    -0.00   0.01   0.00
    23   7    -0.01  -0.02  -0.02    -0.02  -0.02  -0.07     0.02   0.03   0.01
    24   7    -0.01  -0.00   0.02    -0.01   0.02   0.04     0.01  -0.03  -0.01
    25   7     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01  -0.03   0.01
    26   6    -0.05   0.11   0.11     0.04  -0.07  -0.03    -0.02  -0.00  -0.00
    27   6    -0.03   0.07   0.06     0.05  -0.04  -0.05    -0.02   0.01   0.00
    28   6     0.02  -0.07  -0.07     0.04   0.06   0.02     0.01   0.00  -0.01
    29   6     0.04  -0.10  -0.10     0.00   0.11   0.06     0.02  -0.01  -0.02
    30   6     0.07   0.05   0.05     0.05   0.04   0.01    -0.01   0.01   0.00
    31   6     0.06   0.03   0.05     0.06   0.02   0.05    -0.02  -0.00  -0.00
    32   6    -0.02  -0.05  -0.03     0.02  -0.07  -0.00     0.01  -0.01   0.01
    33   6    -0.06  -0.09  -0.07    -0.04  -0.11  -0.05     0.03  -0.00   0.02
    34   6     0.01  -0.05   0.04    -0.06   0.06  -0.02    -0.01  -0.02   0.01
    35   6     0.00  -0.03   0.02    -0.06   0.03  -0.02    -0.01   0.01  -0.00
    36   6    -0.01   0.03  -0.03    -0.02  -0.05   0.02     0.00   0.02  -0.00
    37   6    -0.01   0.04  -0.04     0.01  -0.08   0.02     0.02  -0.00   0.01
    38   6    -0.02   0.04   0.08     0.06  -0.02  -0.05     0.00   0.01   0.02
    39   6     0.03  -0.05  -0.02    -0.04   0.06   0.01     0.00  -0.02  -0.01
    40   6     0.02  -0.03   0.01    -0.04   0.04  -0.06    -0.01   0.00   0.01
    41   6     0.00   0.05   0.07    -0.02   0.01  -0.09     0.00   0.02   0.01
    42   6     0.03  -0.03  -0.08    -0.01  -0.01   0.09    -0.00   0.01  -0.01
    43   6     0.01   0.04  -0.02     0.01  -0.06   0.03     0.01   0.01  -0.00
    44   6    -0.01   0.07   0.02     0.01  -0.03  -0.00     0.01   0.00  -0.00
    45   6     0.00  -0.05  -0.08     0.03   0.04   0.04    -0.01  -0.00  -0.00
    46   6     0.04   0.01   0.06     0.06  -0.01   0.05     0.00  -0.01  -0.02
    47   6    -0.05  -0.04  -0.02    -0.06  -0.03  -0.01     0.01   0.01   0.01
    48   6    -0.03  -0.01   0.03    -0.05  -0.00   0.06    -0.01   0.00  -0.00
    49   6     0.00   0.02   0.07    -0.02  -0.01   0.09    -0.01  -0.02  -0.00
    50   6    -0.02  -0.01  -0.07    -0.00   0.00  -0.07    -0.00  -0.00   0.01
    51   6     0.02   0.04  -0.02     0.04   0.05  -0.03     0.00  -0.01  -0.00
    52   6     0.02   0.03   0.01     0.02   0.01  -0.01     0.01  -0.01   0.00
    53   6    -0.01  -0.04  -0.05     0.01  -0.05  -0.03    -0.00   0.01   0.00
    54   6     0.00  -0.02   0.03    -0.04   0.01  -0.03     0.01   0.00  -0.00
    55   6    -0.01   0.02  -0.01     0.01  -0.03  -0.00    -0.01  -0.01   0.01
    56   6    -0.01   0.01  -0.00     0.03  -0.03  -0.04    -0.01   0.01  -0.00
    57   6     0.00  -0.03   0.02     0.01  -0.01  -0.07    -0.00   0.00   0.01
    58   6    -0.02   0.02  -0.02    -0.00   0.01   0.08    -0.00   0.00   0.01
    59   6    -0.00  -0.01  -0.00     0.01   0.05   0.04     0.00   0.01  -0.00
    60   6     0.00  -0.03   0.01    -0.00   0.04   0.00     0.01  -0.01   0.01
    61   6    -0.01   0.02  -0.03    -0.03  -0.04   0.03    -0.01   0.00  -0.01
    62   1    -0.02   0.06  -0.07    -0.06   0.19   0.02    -0.02  -0.03   0.42
    63   1     0.00  -0.02  -0.09    -0.01  -0.07   0.01    -0.02   0.02   0.44
    64   1     0.03   0.03   0.03     0.09   0.09   0.04    -0.04   0.01   0.09
    65   1    -0.03  -0.03  -0.04    -0.09  -0.09  -0.03    -0.00   0.04  -0.39
    66   1     0.02  -0.03   0.02    -0.00  -0.08  -0.03    -0.03   0.01  -0.10
    67   1     0.00   0.02  -0.04    -0.01   0.02  -0.01    -0.01   0.01  -0.40
    68   1     0.01   0.02  -0.02     0.05   0.07  -0.00    -0.00  -0.01  -0.00
    69   1     0.04  -0.00   0.03     0.09  -0.00   0.01     0.01  -0.01   0.20
    70   1     0.04   0.00  -0.01     0.14  -0.01   0.01     0.00   0.02   0.05
    71   1     0.03  -0.00   0.02     0.11  -0.02  -0.02    -0.02   0.01   0.09
    72   1    -0.08   0.21   0.25     0.11  -0.14  -0.14     0.00   0.03   0.05
    73   1     0.03  -0.02  -0.00    -0.07   0.02   0.04     0.00  -0.03  -0.01
    74   1    -0.00   0.02   0.06    -0.04  -0.01  -0.11    -0.01   0.01   0.02
    75   1    -0.05   0.21   0.22    -0.00  -0.07  -0.22    -0.02   0.04   0.01
    76   1     0.09  -0.18  -0.24    -0.04   0.08   0.19     0.00   0.01  -0.03
    77   1     0.02  -0.02  -0.08    -0.01  -0.05   0.06     0.01   0.02  -0.00
    78   1     0.02   0.05   0.02    -0.04   0.00  -0.00     0.02  -0.01  -0.01
    79   1     0.06  -0.22  -0.25    -0.00   0.15   0.15    -0.01  -0.03  -0.00
    80   1     0.14   0.11   0.16     0.15   0.07   0.11    -0.00  -0.02  -0.05
    81   1    -0.05  -0.01  -0.03    -0.08   0.01  -0.05     0.01   0.03   0.01
    82   1    -0.00   0.03   0.08    -0.03   0.04   0.12    -0.02  -0.00  -0.01
    83   1     0.08   0.11   0.19     0.01   0.05   0.20    -0.03  -0.04   0.00
    84   1    -0.11  -0.09  -0.18    -0.06  -0.06  -0.15     0.00  -0.01   0.03
    85   1    -0.01   0.02  -0.05     0.02   0.06  -0.04     0.00  -0.02  -0.00
    86   1    -0.02   0.02   0.00    -0.04  -0.01  -0.01     0.02  -0.00   0.01
    87   1    -0.10  -0.15  -0.16    -0.05  -0.12  -0.12     0.01   0.03   0.00
    88   1     0.03  -0.10   0.09    -0.07   0.09  -0.09     0.01  -0.01  -0.01
    89   1    -0.01   0.01   0.00     0.03   0.00   0.02    -0.01  -0.02   0.01
    90   1     0.00  -0.01   0.01     0.03  -0.00  -0.07    -0.02   0.02  -0.01
    91   1     0.02  -0.10   0.07    -0.00   0.06  -0.14    -0.01   0.01   0.02
    92   1    -0.04   0.09  -0.07     0.02  -0.04   0.16    -0.01   0.02   0.01
    93   1    -0.00   0.02  -0.02     0.03   0.03   0.07     0.00   0.03  -0.01
    94   1     0.00  -0.02   0.00     0.04   0.02  -0.02     0.02  -0.02   0.01
    95   1    -0.03   0.09  -0.09    -0.01  -0.14   0.08    -0.01  -0.00  -0.02
    96  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --    493.0963               499.5902               518.5175
 Red. masses --      4.1082                 7.5891                 6.5587
 Frc consts  --      0.5885                 1.1160                 1.0390
 IR Inten    --      3.9668                 2.0092                 0.9273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.07     0.00  -0.02   0.15    -0.02  -0.10  -0.05
     2   6    -0.02   0.02  -0.04     0.04  -0.02   0.11     0.07  -0.11  -0.05
     3   6    -0.02   0.01   0.08     0.04   0.00  -0.26     0.11  -0.04   0.07
     4   6    -0.02   0.01  -0.02     0.04   0.00  -0.04     0.15   0.02   0.02
     5   6    -0.01   0.01   0.01     0.01   0.01  -0.01     0.06   0.03   0.01
     6   6    -0.00   0.01   0.02     0.00   0.00  -0.02    -0.04  -0.07  -0.01
     7   6     0.04  -0.00   0.13    -0.05   0.02  -0.23    -0.17   0.01   0.07
     8   6     0.03  -0.01   0.05    -0.05   0.02  -0.01    -0.15   0.08   0.03
     9   6     0.02  -0.02  -0.06    -0.03  -0.00   0.31    -0.09   0.11  -0.07
    10   6    -0.03  -0.01  -0.06     0.02  -0.01   0.30     0.15   0.07  -0.07
    11   6     0.04   0.02  -0.06    -0.06  -0.02   0.10    -0.16  -0.11  -0.05
    12   6     0.02   0.02  -0.03    -0.02  -0.03   0.16    -0.05  -0.14  -0.05
    13   6     0.02   0.02   0.02    -0.01  -0.01  -0.02    -0.03  -0.12  -0.01
    14   6     0.02   0.00  -0.03    -0.02   0.01  -0.03    -0.09   0.06   0.01
    15   7     0.02  -0.02  -0.12    -0.02   0.01  -0.23    -0.12   0.05   0.01
    16   6    -0.00  -0.02   0.27    -0.01  -0.02   0.14    -0.04  -0.08   0.04
    17   6    -0.03  -0.01   0.25     0.02  -0.02   0.12     0.11  -0.09   0.04
    18   7    -0.04  -0.00  -0.06     0.04  -0.00  -0.21     0.19  -0.03   0.02
    19   6     0.00   0.00  -0.13     0.01   0.01  -0.02     0.03  -0.00  -0.03
    20   6    -0.01   0.00   0.05     0.00   0.03  -0.00    -0.01   0.12   0.02
    21   6    -0.02  -0.00   0.06     0.01   0.02   0.02     0.05   0.10   0.01
    22   6    -0.02   0.01  -0.18     0.01   0.02  -0.04     0.05   0.06  -0.04
    23   7     0.01   0.02  -0.00    -0.03  -0.05   0.00     0.03  -0.01   0.04
    24   7     0.00   0.02  -0.00     0.01  -0.06   0.00    -0.05  -0.01   0.05
    25   7    -0.01  -0.01   0.02     0.01   0.00   0.01     0.03   0.01   0.02
    26   6     0.00   0.02   0.00    -0.03  -0.04  -0.02    -0.01   0.01   0.06
    27   6    -0.00  -0.01   0.00    -0.03   0.02  -0.00     0.02   0.00  -0.02
    28   6    -0.02  -0.02  -0.00     0.04   0.04   0.00     0.06   0.01  -0.03
    29   6    -0.02  -0.01   0.01     0.05   0.01  -0.02     0.02   0.06   0.02
    30   6    -0.00   0.02   0.01     0.01  -0.05  -0.02     0.02   0.01   0.05
    31   6    -0.01  -0.00   0.00     0.04   0.00  -0.00    -0.02   0.00  -0.02
    32   6     0.01  -0.02   0.00    -0.01   0.05   0.00    -0.03   0.01  -0.02
    33   6     0.02  -0.01   0.01    -0.04   0.02  -0.02     0.01   0.04   0.02
    34   6     0.01   0.00  -0.00     0.00   0.00   0.01     0.01   0.01   0.02
    35   6     0.01   0.02  -0.02    -0.00   0.00  -0.01    -0.01  -0.00  -0.01
    36   6    -0.00   0.00  -0.01    -0.02  -0.00  -0.01    -0.05  -0.02  -0.01
    37   6    -0.00  -0.02   0.02    -0.01  -0.02  -0.00    -0.02  -0.04  -0.02
    38   6    -0.02   0.00   0.00     0.03   0.01   0.01     0.05  -0.01  -0.00
    39   6     0.01   0.00   0.00    -0.02  -0.02  -0.01    -0.01   0.02   0.03
    40   6     0.01  -0.01   0.01    -0.03   0.02  -0.00    -0.01  -0.01  -0.04
    41   6    -0.00  -0.01   0.02     0.00   0.02  -0.04     0.00   0.05  -0.02
    42   6    -0.01   0.01  -0.01    -0.00   0.00  -0.01     0.03  -0.01   0.03
    43   6    -0.01   0.00  -0.01     0.02   0.02   0.02     0.03  -0.03  -0.01
    44   6    -0.01  -0.00   0.01     0.03  -0.01  -0.02     0.01   0.06   0.01
    45   6    -0.01  -0.01   0.00    -0.01   0.00   0.01     0.02   0.01  -0.04
    46   6     0.01  -0.01  -0.00    -0.02   0.02   0.01    -0.03   0.00  -0.01
    47   6    -0.00   0.01   0.00     0.01  -0.02  -0.01     0.02   0.02   0.02
    48   6    -0.01  -0.00   0.00     0.04   0.00   0.00    -0.00  -0.01  -0.03
    49   6    -0.00  -0.01   0.02     0.00   0.01  -0.04     0.01   0.02  -0.01
    50   6    -0.00  -0.00   0.00     0.01   0.00  -0.02    -0.02   0.01   0.03
    51   6     0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.03  -0.02  -0.01
    52   6     0.01  -0.00   0.01    -0.03   0.00  -0.02     0.01   0.04   0.01
    53   6    -0.00  -0.00  -0.00     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   6    -0.00   0.00  -0.01    -0.01   0.00   0.00    -0.05   0.01   0.02
    55   6     0.01  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00   0.03
    56   6     0.00   0.01  -0.01     0.00   0.00  -0.01     0.01  -0.00  -0.03
    57   6     0.01  -0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.04  -0.04
    58   6     0.01  -0.02   0.01    -0.00  -0.00   0.01    -0.01   0.01   0.02
    59   6    -0.00   0.01  -0.01    -0.01   0.01   0.00    -0.01   0.01   0.01
    60   6     0.00   0.00   0.01    -0.00  -0.01   0.00    -0.01  -0.01  -0.00
    61   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
    62   1    -0.03   0.03  -0.02     0.04  -0.05   0.22     0.11  -0.24  -0.04
    63   1    -0.01  -0.00   0.03     0.01   0.02   0.05     0.03   0.14   0.02
    64   1    -0.01   0.00   0.09     0.00   0.01  -0.11    -0.13  -0.06   0.03
    65   1     0.05   0.04  -0.17    -0.08  -0.04   0.13    -0.26  -0.23  -0.05
    66   1     0.01   0.02   0.04    -0.00  -0.00  -0.12     0.08  -0.14   0.02
    67   1     0.01  -0.00  -0.09    -0.01   0.03  -0.00    -0.03   0.13   0.01
    68   1     0.02  -0.02  -0.19    -0.01   0.02  -0.43    -0.16   0.08   0.03
    69   1     0.00   0.01  -0.50     0.04   0.01  -0.14     0.16  -0.02  -0.09
    70   1     0.00   0.01  -0.10     0.01   0.04  -0.07     0.01   0.15   0.01
    71   1    -0.01   0.02  -0.59    -0.01   0.03  -0.19    -0.09   0.08  -0.09
    72   1    -0.03   0.02  -0.00     0.06  -0.03   0.04     0.07  -0.05   0.01
    73   1     0.01   0.02  -0.01    -0.03  -0.05  -0.00    -0.04   0.01   0.08
    74   1     0.03  -0.01   0.00    -0.06   0.04   0.02    -0.03  -0.05  -0.09
    75   1     0.01  -0.02   0.03    -0.02   0.06  -0.06    -0.01   0.06  -0.07
    76   1    -0.00  -0.00  -0.01    -0.00   0.05  -0.03     0.04  -0.02   0.00
    77   1     0.00  -0.00  -0.02     0.01   0.04   0.04     0.01  -0.09  -0.04
    78   1    -0.00   0.00   0.02     0.04  -0.02  -0.03    -0.01   0.09   0.02
    79   1    -0.00  -0.01  -0.01    -0.02  -0.02   0.04     0.03  -0.01  -0.05
    80   1     0.02   0.00  -0.02    -0.05  -0.00   0.04    -0.05  -0.01  -0.01
    81   1    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.04   0.02   0.05
    82   1    -0.03  -0.00  -0.00     0.07   0.01   0.02    -0.02  -0.05  -0.07
    83   1    -0.02  -0.02   0.03     0.04   0.04  -0.06     0.01   0.01  -0.04
    84   1    -0.01  -0.02   0.01     0.02   0.04  -0.03    -0.03  -0.00   0.00
    85   1    -0.00  -0.01  -0.02     0.01   0.05   0.04    -0.04  -0.07  -0.04
    86   1     0.02   0.00   0.01    -0.05  -0.01  -0.02     0.04   0.06   0.02
    87   1    -0.00   0.01  -0.02     0.01  -0.02   0.04    -0.02  -0.00  -0.04
    88   1    -0.01   0.02  -0.01    -0.02   0.01   0.01    -0.07   0.03   0.04
    89   1     0.02  -0.02   0.02     0.01  -0.00   0.02     0.02   0.02   0.06
    90   1    -0.01   0.03  -0.03     0.01   0.01  -0.02     0.05   0.01  -0.04
    91   1     0.00   0.01  -0.02     0.00  -0.02  -0.02     0.00  -0.06  -0.06
    92   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    93   1    -0.01   0.02  -0.02    -0.00   0.02  -0.00    -0.00   0.03   0.01
    94   1    -0.00  -0.00   0.02     0.00  -0.01   0.00     0.00  -0.02  -0.01
    95   1     0.02  -0.01   0.03    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    96  17    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00  -0.01  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --    533.3234               533.4453               533.8253
 Red. masses --      5.3239                 5.3425                 5.3423
 Frc consts  --      0.8922                 0.8957                 0.8970
 IR Inten    --      1.8580                 3.1669                 1.3644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00  -0.02     0.00  -0.01   0.01
     3   6     0.01  -0.00  -0.00     0.00   0.01   0.03     0.00  -0.01   0.02
     4   6     0.01   0.00  -0.00     0.00  -0.00   0.03     0.00  -0.01   0.01
     5   6     0.01   0.01   0.00     0.01  -0.00   0.01    -0.01  -0.00  -0.03
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.01  -0.01   0.03
     7   6    -0.01   0.00   0.00     0.01   0.01   0.01     0.00   0.00  -0.03
     8   6    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.01  -0.03
     9   6    -0.01   0.01   0.02     0.00  -0.00  -0.05     0.00  -0.00   0.02
    10   6     0.01   0.00   0.00    -0.00  -0.00  -0.04     0.01  -0.00   0.02
    11   6    -0.01  -0.01   0.01     0.01   0.01  -0.02    -0.00   0.00   0.01
    12   6    -0.00  -0.01  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.00
    13   6     0.00  -0.01   0.01    -0.01   0.01  -0.02    -0.00   0.01  -0.01
    14   6    -0.00   0.00  -0.01    -0.01   0.01   0.02    -0.00   0.01   0.02
    15   7    -0.01   0.00  -0.00     0.00  -0.01   0.02    -0.00  -0.00  -0.00
    16   6    -0.01  -0.01   0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    17   6     0.00  -0.01   0.03    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    18   7     0.01  -0.00  -0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
    19   6     0.01   0.01  -0.03    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    20   6     0.00   0.02   0.03     0.00   0.00   0.01    -0.00   0.00   0.01
    21   6     0.00   0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.01
    23   7     0.00  -0.00   0.00     0.01   0.01  -0.02    -0.03  -0.03   0.03
    24   7     0.00  -0.02   0.02    -0.01   0.04  -0.03    -0.01   0.02  -0.01
    25   7    -0.01   0.03   0.04    -0.01   0.01   0.01    -0.00   0.01   0.01
    26   6     0.07  -0.01   0.04    -0.14   0.03  -0.07    -0.06   0.01  -0.03
    27   6     0.06   0.03  -0.01    -0.11  -0.05   0.01    -0.05  -0.02   0.01
    28   6    -0.06  -0.01  -0.01     0.12   0.03   0.01     0.06   0.01   0.01
    29   6    -0.05  -0.05   0.04     0.09   0.11  -0.07     0.04   0.05  -0.03
    30   6     0.01  -0.00  -0.00     0.07  -0.01  -0.04    -0.14   0.03   0.08
    31   6     0.01  -0.01  -0.00     0.04  -0.05   0.00    -0.09   0.10  -0.01
    32   6    -0.01   0.01  -0.00    -0.05   0.04   0.01     0.11  -0.08  -0.02
    33   6    -0.00   0.01  -0.00    -0.02   0.07  -0.03     0.05  -0.14   0.08
    34   6    -0.15   0.01   0.08    -0.06   0.01   0.03    -0.04   0.01   0.02
    35   6    -0.13  -0.06  -0.02    -0.05  -0.02  -0.01    -0.03  -0.02  -0.01
    36   6     0.13   0.04  -0.01     0.05   0.01  -0.00     0.03   0.01  -0.00
    37   6     0.10   0.10   0.09     0.04   0.04   0.03     0.02   0.03   0.02
    38   6    -0.07   0.03  -0.05     0.15  -0.06   0.10     0.07  -0.03   0.04
    39   6    -0.04   0.04  -0.05     0.08  -0.07   0.10     0.04  -0.04   0.05
    40   6     0.00  -0.01   0.01    -0.00   0.02  -0.02    -0.00   0.01  -0.01
    41   6    -0.04  -0.06   0.05     0.08   0.13  -0.10     0.04   0.06  -0.05
    42   6     0.07  -0.03   0.05    -0.14   0.06  -0.10    -0.06   0.02  -0.05
    43   6     0.01  -0.01   0.01    -0.01   0.02  -0.02    -0.00   0.01  -0.01
    44   6     0.01   0.06  -0.05    -0.02  -0.11   0.10    -0.01  -0.05   0.05
    45   6     0.04   0.07  -0.05    -0.09  -0.13   0.09    -0.04  -0.06   0.04
    46   6    -0.01   0.00   0.01    -0.08   0.00   0.05     0.16  -0.01  -0.11
    47   6    -0.01  -0.00   0.01    -0.05  -0.02   0.06     0.11   0.03  -0.12
    48   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.02   0.03
    49   6    -0.00   0.01  -0.01    -0.01   0.08  -0.05     0.03  -0.16   0.11
    50   6     0.01   0.00  -0.01     0.08  -0.00  -0.06    -0.16   0.01   0.12
    51   6    -0.00  -0.00  -0.00     0.01   0.00  -0.01    -0.02  -0.01   0.03
    52   6    -0.00  -0.00   0.01    -0.01  -0.05   0.06     0.02   0.12  -0.12
    53   6     0.00  -0.01   0.00     0.02  -0.08   0.05    -0.03   0.17  -0.11
    54   6     0.16  -0.04  -0.11     0.06  -0.02  -0.04     0.04  -0.01  -0.03
    55   6     0.09  -0.07  -0.12     0.04  -0.03  -0.05     0.02  -0.02  -0.03
    56   6    -0.00   0.02   0.02    -0.00   0.01   0.01    -0.00   0.00   0.01
    57   6     0.08   0.12   0.13     0.03   0.05   0.05     0.02   0.03   0.03
    58   6    -0.16   0.04   0.12    -0.06   0.02   0.05    -0.04   0.01   0.03
    59   6    -0.01   0.02   0.03    -0.00   0.01   0.01    -0.00   0.00   0.01
    60   6    -0.02  -0.11  -0.12    -0.01  -0.04  -0.05    -0.01  -0.03  -0.03
    61   6    -0.09  -0.13  -0.12    -0.03  -0.05  -0.05    -0.02  -0.03  -0.03
    62   1     0.01  -0.02  -0.00    -0.00   0.00  -0.07     0.00  -0.02   0.00
    63   1     0.01   0.01   0.01     0.01   0.00  -0.02    -0.01   0.00  -0.06
    64   1    -0.01  -0.00  -0.00     0.00  -0.00  -0.05    -0.01  -0.01   0.05
    65   1    -0.02  -0.02   0.03     0.01   0.01  -0.04     0.00   0.00   0.04
    66   1     0.01  -0.02   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.00
    67   1     0.00   0.01  -0.00    -0.01   0.01   0.02    -0.00   0.00   0.06
    68   1    -0.01   0.00  -0.01     0.00  -0.01   0.03    -0.00  -0.01  -0.02
    69   1     0.02   0.01  -0.05    -0.00   0.01  -0.04     0.00   0.00  -0.01
    70   1     0.00   0.02   0.08    -0.00   0.00   0.02    -0.00   0.00   0.01
    71   1    -0.02   0.01   0.00    -0.00   0.00  -0.02    -0.01   0.00   0.01
    72   1    -0.09   0.05  -0.08     0.19  -0.11   0.15     0.09  -0.05   0.07
    73   1    -0.02   0.07  -0.07     0.03  -0.14   0.16     0.01  -0.07   0.08
    74   1     0.08  -0.00   0.02    -0.17  -0.01  -0.05    -0.08  -0.00  -0.02
    75   1    -0.02  -0.08   0.07     0.04   0.17  -0.15     0.02   0.08  -0.07
    76   1     0.07  -0.06   0.07    -0.14   0.11  -0.15    -0.06   0.05  -0.07
    77   1    -0.07  -0.06   0.02     0.14   0.10  -0.05     0.06   0.05  -0.02
    78   1    -0.03   0.07  -0.08     0.06  -0.13   0.16     0.03  -0.06   0.07
    79   1     0.05   0.10  -0.08    -0.09  -0.20   0.15    -0.04  -0.09   0.07
    80   1    -0.02  -0.00   0.01    -0.11  -0.01   0.09     0.23   0.02  -0.18
    81   1    -0.00  -0.01   0.02    -0.04  -0.06   0.09     0.08   0.12  -0.18
    82   1     0.01  -0.01  -0.01     0.08  -0.04  -0.03    -0.16   0.08   0.06
    83   1     0.00   0.01  -0.02     0.01   0.09  -0.08    -0.02  -0.18   0.17
    84   1     0.01   0.00  -0.01     0.08   0.02  -0.08    -0.17  -0.04   0.17
    85   1    -0.01   0.00  -0.01    -0.05   0.07  -0.03     0.10  -0.16   0.05
    86   1    -0.00  -0.00   0.01    -0.05  -0.05   0.09     0.11   0.10  -0.18
    87   1    -0.00  -0.02   0.01     0.01  -0.12   0.08    -0.01   0.23  -0.17
    88   1     0.21  -0.09  -0.18     0.08  -0.04  -0.07     0.05  -0.02  -0.04
    89   1     0.04  -0.14  -0.18     0.01  -0.05  -0.07     0.01  -0.03  -0.05
    90   1    -0.19  -0.01   0.04    -0.07  -0.00   0.02    -0.05  -0.01   0.01
    91   1     0.04   0.16   0.18     0.02   0.06   0.07     0.01   0.04   0.05
    92   1    -0.16   0.11   0.18    -0.06   0.04   0.07    -0.04   0.03   0.04
    93   1     0.15   0.11   0.06     0.06   0.04   0.02     0.04   0.02   0.02
    94   1     0.07  -0.13  -0.19     0.03  -0.05  -0.07     0.02  -0.03  -0.05
    95   1    -0.10  -0.20  -0.20    -0.04  -0.08  -0.07    -0.02  -0.05  -0.05
    96  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --    573.0093               573.6135               574.6231
 Red. masses --      4.4234                 4.5501                 4.4378
 Frc consts  --      0.8557                 0.8821                 0.8633
 IR Inten    --      3.0321                 2.3445                 0.0410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00  -0.01   0.09     0.01   0.01  -0.03
     2   6    -0.01   0.01  -0.00    -0.01  -0.00  -0.06     0.01   0.01   0.02
     3   6     0.00   0.01  -0.02     0.00  -0.00  -0.00    -0.01  -0.00   0.04
     4   6     0.01   0.00  -0.01     0.00  -0.00   0.09    -0.01  -0.01   0.01
     5   6    -0.00   0.01   0.01     0.00  -0.00   0.03    -0.01  -0.01  -0.03
     6   6    -0.01   0.00  -0.01     0.00  -0.01  -0.06     0.00   0.01   0.04
     7   6     0.00   0.01   0.02    -0.00  -0.00  -0.00    -0.01   0.01  -0.05
     8   6    -0.00  -0.00   0.03    -0.00  -0.00   0.10    -0.00   0.01   0.01
     9   6    -0.00  -0.01  -0.03    -0.00   0.02  -0.11     0.00  -0.00  -0.01
    10   6     0.00  -0.02   0.01     0.01   0.02  -0.10    -0.00  -0.01  -0.01
    11   6     0.00   0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.01  -0.03
    12   6     0.01  -0.00   0.01    -0.00  -0.01   0.09     0.00  -0.01   0.05
    13   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.06     0.01  -0.00  -0.05
    14   6    -0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.01   0.03
    15   7     0.00  -0.01  -0.02    -0.01   0.01   0.03     0.00  -0.00  -0.00
    16   6    -0.00  -0.00   0.04    -0.00  -0.01   0.02     0.00   0.00   0.01
    17   6     0.02  -0.00  -0.04     0.00  -0.01   0.01     0.00   0.00   0.00
    18   7     0.01  -0.03   0.03     0.02   0.00   0.03    -0.00  -0.01   0.01
    19   6    -0.01  -0.01   0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   6    -0.02   0.02  -0.06     0.00   0.01   0.00    -0.00   0.00  -0.01
    21   6    -0.00   0.01   0.08     0.00   0.01   0.01     0.00   0.00   0.01
    22   6     0.02   0.03  -0.05    -0.00  -0.00  -0.01     0.00   0.01  -0.01
    23   7     0.01   0.02   0.04     0.04   0.04   0.14    -0.06  -0.06  -0.14
    24   7     0.01  -0.01  -0.01    -0.02   0.04   0.13    -0.02   0.07   0.16
    25   7     0.04  -0.12   0.19    -0.01   0.03  -0.02     0.01  -0.02   0.03
    26   6    -0.00   0.00   0.01    -0.00  -0.10  -0.06     0.00  -0.11  -0.08
    27   6    -0.00  -0.00  -0.00    -0.03   0.02  -0.01    -0.03   0.02  -0.00
    28   6    -0.00   0.00  -0.00     0.01   0.03  -0.01     0.01   0.03  -0.01
    29   6     0.00   0.00   0.01     0.06  -0.07  -0.06     0.06  -0.08  -0.07
    30   6    -0.01  -0.02  -0.02    -0.04  -0.10  -0.06     0.05   0.09   0.07
    31   6     0.01   0.00  -0.00     0.04   0.01  -0.01    -0.03  -0.01   0.01
    32   6     0.00   0.01  -0.00     0.00   0.04  -0.01    -0.00  -0.03   0.00
    33   6    -0.03  -0.02  -0.02    -0.10  -0.05  -0.06     0.08   0.05   0.07
    34   6    -0.01   0.15  -0.09     0.01  -0.02   0.02    -0.00   0.02  -0.01
    35   6     0.04  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6    -0.01  -0.04  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    37   6    -0.08   0.13  -0.09     0.01  -0.02   0.02    -0.01   0.02  -0.02
    38   6    -0.00  -0.00  -0.00    -0.01   0.06   0.03    -0.01   0.06   0.04
    39   6    -0.00   0.01   0.00    -0.01  -0.06  -0.09    -0.01  -0.07  -0.10
    40   6    -0.00  -0.00  -0.00    -0.04   0.05   0.07    -0.04   0.06   0.08
    41   6    -0.00   0.00   0.01     0.01  -0.04  -0.04     0.01  -0.05  -0.05
    42   6    -0.00   0.00   0.00     0.02  -0.04  -0.04     0.02  -0.05  -0.05
    43   6     0.00  -0.01  -0.01     0.00   0.06   0.07    -0.00   0.08   0.09
    44   6    -0.00   0.01   0.01     0.05  -0.04  -0.09     0.05  -0.06  -0.10
    45   6     0.00  -0.00  -0.00    -0.03   0.06   0.03    -0.03   0.06   0.05
    46   6     0.01   0.01   0.01     0.04   0.05   0.03    -0.04  -0.05  -0.04
    47   6    -0.01  -0.02  -0.03    -0.02  -0.07  -0.09     0.03   0.07   0.09
    48   6     0.02   0.01   0.02     0.07   0.03   0.07    -0.06  -0.04  -0.07
    49   6    -0.01  -0.02  -0.01    -0.03  -0.04  -0.04     0.04   0.04   0.05
    50   6    -0.01  -0.01  -0.02    -0.04  -0.03  -0.04     0.04   0.04   0.04
    51   6     0.01   0.02   0.02     0.03   0.07   0.07    -0.04  -0.06  -0.07
    52   6    -0.02  -0.01  -0.02    -0.07  -0.02  -0.09     0.07   0.04   0.09
    53   6     0.01   0.01   0.01     0.05   0.04   0.03    -0.04  -0.04  -0.04
    54   6     0.02  -0.09   0.05    -0.00   0.01  -0.01     0.00  -0.01   0.01
    55   6    -0.00   0.12  -0.12     0.01  -0.02   0.02    -0.00   0.02  -0.02
    56   6     0.06  -0.10   0.10    -0.00   0.02  -0.01     0.01  -0.02   0.02
    57   6    -0.02   0.08  -0.06     0.01  -0.01   0.01    -0.00   0.01  -0.01
    58   6    -0.03   0.08  -0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    59   6     0.01  -0.11   0.10    -0.01   0.02  -0.01     0.00  -0.02   0.02
    60   6    -0.07   0.09  -0.13     0.00  -0.02   0.01    -0.01   0.02  -0.02
    61   6     0.03  -0.09   0.05    -0.00   0.01  -0.01     0.00  -0.01   0.01
    62   1    -0.01  -0.00   0.03    -0.00  -0.00  -0.14     0.01   0.02  -0.03
    63   1    -0.01   0.02   0.02     0.00   0.01  -0.07    -0.00  -0.02  -0.08
    64   1    -0.01   0.00  -0.01    -0.00   0.00  -0.20     0.02   0.00   0.04
    65   1    -0.00   0.00  -0.06    -0.00   0.00  -0.14    -0.00  -0.01   0.00
    66   1     0.00  -0.00  -0.04    -0.00   0.01  -0.19     0.02  -0.00  -0.08
    67   1     0.00   0.01  -0.04    -0.00   0.01  -0.07     0.01   0.02   0.07
    68   1     0.01  -0.01  -0.01    -0.02   0.01   0.08     0.01  -0.00  -0.01
    69   1     0.00  -0.01   0.01     0.01  -0.00  -0.05     0.00   0.00   0.00
    70   1    -0.02   0.02  -0.16     0.00   0.01  -0.03    -0.00   0.00  -0.01
    71   1     0.01   0.03  -0.04    -0.01  -0.00  -0.05     0.00   0.01  -0.01
    72   1     0.00  -0.01  -0.01    -0.01   0.09   0.13    -0.02   0.11   0.15
    73   1    -0.00   0.01   0.00    -0.00  -0.09  -0.12     0.00  -0.11  -0.13
    74   1     0.01  -0.01  -0.01    -0.06   0.16   0.19    -0.07   0.20   0.22
    75   1    -0.00  -0.01  -0.00    -0.04   0.05  -0.00    -0.04   0.06   0.01
    76   1     0.00   0.00  -0.00     0.01   0.06  -0.01    -0.00   0.06  -0.00
    77   1     0.01  -0.02  -0.02    -0.06   0.17   0.20    -0.07   0.21   0.24
    78   1    -0.00   0.01   0.01     0.06  -0.08  -0.13     0.07  -0.11  -0.15
    79   1     0.00  -0.01  -0.01    -0.05   0.09   0.13    -0.05   0.11   0.15
    80   1     0.02   0.03   0.03     0.06   0.09   0.13    -0.07  -0.09  -0.13
    81   1    -0.01  -0.03  -0.04    -0.05  -0.10  -0.13     0.06   0.10   0.12
    82   1     0.04   0.04   0.06     0.14   0.15   0.20    -0.15  -0.16  -0.20
    83   1     0.01   0.01   0.00     0.06   0.03  -0.01    -0.05  -0.04  -0.00
    84   1     0.01   0.01  -0.00     0.02   0.06  -0.00    -0.03  -0.05  -0.00
    85   1     0.04   0.05   0.05     0.14   0.15   0.20    -0.15  -0.16  -0.20
    86   1    -0.03  -0.02  -0.03    -0.10  -0.05  -0.13     0.10   0.07   0.12
    87   1     0.03   0.02   0.04     0.09   0.07   0.13    -0.09  -0.08  -0.13
    88   1     0.04  -0.18   0.18    -0.01   0.03  -0.02     0.01  -0.03   0.03
    89   1    -0.02   0.18  -0.17     0.01  -0.03   0.02    -0.01   0.03  -0.03
    90   1     0.10  -0.32   0.27    -0.02   0.05  -0.04     0.02  -0.05   0.04
    91   1     0.04  -0.07  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    92   1     0.00  -0.08   0.00    -0.01   0.01  -0.01     0.00  -0.01   0.00
    93   1     0.10  -0.31   0.27    -0.01   0.05  -0.04     0.02  -0.05   0.04
    94   1    -0.09   0.16  -0.18     0.01  -0.03   0.02    -0.01   0.03  -0.03
    95   1     0.07  -0.17   0.17    -0.01   0.03  -0.02     0.01  -0.03   0.03
    96  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --    581.9081               582.0667               582.5309
 Red. masses --      3.8436                 3.8475                 3.8681
 Frc consts  --      0.7668                 0.7680                 0.7734
 IR Inten    --      1.2894                 0.7906                 0.6278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.01   0.00  -0.02
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.01
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     8   6     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.01
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    11   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.00   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.00   0.01     0.00  -0.00  -0.01
    13   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
    18   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    20   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.00   0.00  -0.01
    22   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.01   0.00
    23   7    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.01   0.01   0.00
    24   7     0.00  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.01   0.00
    25   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    26   6     0.01  -0.03  -0.03    -0.00   0.00   0.01     0.00  -0.00  -0.01
    27   6    -0.03   0.10   0.11     0.00  -0.01  -0.01     0.00   0.00   0.00
    28   6     0.03  -0.10  -0.11    -0.00   0.01   0.01    -0.00  -0.00  -0.00
    29   6    -0.01   0.03   0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02   0.03   0.02
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.08  -0.10
    32   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.08   0.08   0.11
    33   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.03  -0.04
    34   6     0.00  -0.00   0.00     0.01  -0.03   0.03    -0.00  -0.00  -0.00
    35   6    -0.00   0.01  -0.01    -0.03   0.11  -0.10    -0.01   0.01  -0.00
    36   6     0.00  -0.01   0.01     0.03  -0.12   0.09     0.00  -0.00   0.01
    37   6    -0.00   0.00  -0.00    -0.02   0.03  -0.02     0.00   0.00  -0.00
    38   6     0.03  -0.08  -0.09    -0.00   0.01   0.01    -0.00  -0.00   0.00
    39   6    -0.04   0.13   0.14     0.00  -0.01  -0.02     0.00  -0.00   0.00
    40   6     0.04  -0.13  -0.13    -0.01   0.01   0.01     0.00   0.00   0.00
    41   6    -0.03   0.09   0.10     0.00  -0.01  -0.01     0.00   0.00  -0.00
    42   6     0.03  -0.08  -0.09    -0.00   0.01   0.01     0.00  -0.00  -0.01
    43   6    -0.04   0.13   0.12     0.01  -0.02  -0.02    -0.00   0.01   0.01
    44   6     0.04  -0.12  -0.13    -0.00   0.02   0.02    -0.00  -0.01  -0.00
    45   6    -0.03   0.08   0.08     0.00  -0.01  -0.01     0.00   0.00   0.01
    46   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.06   0.07   0.09
    47   6     0.00   0.00   0.00     0.01   0.01   0.01    -0.10  -0.10  -0.12
    48   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.10   0.11   0.12
    49   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.07  -0.07  -0.09
    50   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.07   0.07   0.08
    51   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.09  -0.10  -0.12
    52   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.09   0.09   0.12
    53   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.07  -0.08
    54   6     0.00  -0.01   0.01     0.03  -0.09   0.07     0.00  -0.00   0.01
    55   6    -0.00   0.02  -0.02    -0.03   0.14  -0.12    -0.01   0.01  -0.01
    56   6     0.01  -0.02   0.01     0.05  -0.14   0.11     0.00  -0.01   0.01
    57   6    -0.00   0.01  -0.01    -0.03   0.10  -0.08    -0.00   0.01  -0.01
    58   6     0.00  -0.01   0.01     0.03  -0.10   0.08     0.00  -0.00   0.00
    59   6    -0.01   0.02  -0.01    -0.05   0.14  -0.11    -0.00   0.01  -0.01
    60   6     0.00  -0.02   0.01     0.04  -0.14   0.11     0.00  -0.01   0.01
    61   6    -0.00   0.01  -0.01    -0.03   0.09  -0.08    -0.00   0.00  -0.00
    62   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.01
    63   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.02
    64   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.01   0.05
    65   1     0.01   0.01  -0.00    -0.00   0.00  -0.01     0.00  -0.01   0.03
    66   1     0.00   0.01  -0.02    -0.00   0.00  -0.01     0.00  -0.01   0.03
    67   1    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00   0.00   0.02
    68   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.01  -0.01
    69   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    70   1     0.00   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.00   0.02
    71   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.01
    72   1     0.02  -0.05  -0.06     0.00   0.00   0.01    -0.00   0.01   0.00
    73   1    -0.10   0.29   0.30     0.01  -0.03  -0.03     0.00  -0.00   0.00
    74   1     0.09  -0.27  -0.28    -0.01   0.03   0.03    -0.00   0.01   0.00
    75   1    -0.04   0.13   0.13     0.00  -0.01  -0.02     0.00   0.00   0.01
    76   1     0.05  -0.13  -0.14    -0.00   0.02   0.01    -0.00  -0.00   0.00
    77   1    -0.09   0.25   0.25     0.01  -0.04  -0.03    -0.01   0.02   0.02
    78   1     0.10  -0.27  -0.29    -0.01   0.04   0.04     0.00  -0.01  -0.01
    79   1    -0.01   0.04   0.04     0.00  -0.01  -0.01    -0.00   0.01   0.01
    80   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.04   0.04   0.05
    81   1     0.01   0.01   0.01     0.01   0.01   0.02    -0.22  -0.24  -0.28
    82   1    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02     0.21   0.23   0.26
    83   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.10  -0.10  -0.12
    84   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.10   0.10   0.13
    85   1     0.00   0.00   0.00     0.01   0.00   0.01    -0.19  -0.20  -0.24
    86   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01     0.21   0.22   0.28
    87   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.03  -0.04
    88   1     0.00  -0.01   0.01     0.01  -0.05   0.04     0.00  -0.00   0.00
    89   1    -0.01   0.04  -0.03    -0.09   0.31  -0.26    -0.01   0.02  -0.01
    90   1     0.01  -0.03   0.03     0.09  -0.28   0.23     0.01  -0.02   0.01
    91   1    -0.00   0.02  -0.01    -0.04   0.14  -0.12    -0.01   0.01  -0.00
    92   1     0.01  -0.02   0.01     0.04  -0.15   0.11     0.00  -0.01   0.01
    93   1    -0.01   0.03  -0.03    -0.09   0.30  -0.24    -0.00   0.01  -0.01
    94   1     0.01  -0.04   0.03     0.10  -0.32   0.26     0.01  -0.02   0.02
    95   1    -0.00   0.01  -0.00    -0.02   0.06  -0.04    -0.00  -0.00  -0.00
    96  17     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --    584.9900               592.0448               607.0465
 Red. masses --      4.6170                 6.1489                 5.7001
 Frc consts  --      0.9309                 1.2699                 1.2376
 IR Inten    --     10.0294                 7.4615                53.7997
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00   0.17     0.06  -0.06  -0.07     0.08  -0.06   0.01
     2   6     0.07   0.00  -0.04     0.00  -0.07   0.03    -0.00  -0.06  -0.01
     3   6     0.01  -0.04  -0.07    -0.01  -0.06  -0.02    -0.05  -0.09   0.01
     4   6    -0.02  -0.01   0.10    -0.04   0.03  -0.07    -0.09   0.03   0.02
     5   6    -0.02  -0.00   0.03     0.05  -0.01  -0.02     0.03  -0.01   0.01
     6   6     0.02   0.06  -0.07     0.06  -0.03   0.04     0.07   0.01  -0.00
     7   6    -0.01  -0.04  -0.04     0.00  -0.06   0.03    -0.00  -0.10  -0.02
     8   6     0.01  -0.03   0.13     0.02  -0.01  -0.02     0.03  -0.07  -0.02
     9   6     0.01  -0.00  -0.12    -0.02   0.12   0.01    -0.07   0.18   0.03
    10   6    -0.03   0.00  -0.09    -0.03   0.11   0.09    -0.10   0.10  -0.03
    11   6    -0.05   0.04  -0.04    -0.01  -0.01   0.01    -0.04   0.05   0.00
    12   6    -0.01   0.02   0.16    -0.03   0.01  -0.03    -0.01   0.07   0.02
    13   6     0.02   0.07  -0.05    -0.01   0.02   0.01     0.03   0.08   0.00
    14   6     0.04  -0.02   0.02     0.01  -0.03  -0.00     0.09  -0.10  -0.00
    15   7     0.02  -0.00   0.01    -0.03   0.10  -0.03    -0.00   0.27   0.03
    16   6     0.01   0.01   0.03     0.01  -0.03   0.01     0.11  -0.08  -0.01
    17   6    -0.04   0.02  -0.02    -0.08  -0.02  -0.13     0.02  -0.08   0.07
    18   7    -0.05   0.02   0.04    -0.02   0.08   0.06    -0.02  -0.12  -0.04
    19   6     0.02   0.01   0.02     0.09  -0.02   0.10     0.08  -0.21  -0.06
    20   6     0.04  -0.03  -0.03     0.12  -0.05  -0.13    -0.01   0.00   0.06
    21   6    -0.01  -0.03   0.06    -0.02  -0.04   0.21    -0.07   0.06  -0.13
    22   6    -0.03  -0.03  -0.03    -0.09  -0.11  -0.07    -0.04   0.09   0.03
    23   7    -0.09  -0.11  -0.02     0.07  -0.00  -0.01     0.05  -0.04  -0.00
    24   7     0.04  -0.12  -0.04    -0.03   0.04   0.01     0.01   0.01  -0.01
    25   7    -0.02   0.03   0.01    -0.07   0.16   0.07    -0.00  -0.09   0.02
    26   6    -0.05   0.00   0.06     0.02  -0.00  -0.01     0.01   0.01  -0.01
    27   6    -0.03   0.00  -0.03     0.02  -0.01   0.01     0.01  -0.01   0.01
    28   6     0.02   0.03  -0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    29   6     0.03   0.03   0.06    -0.02  -0.00  -0.03    -0.01  -0.00  -0.00
    30   6     0.05  -0.02   0.07    -0.02   0.01   0.00    -0.01  -0.02   0.02
    31   6     0.03  -0.01  -0.05    -0.03   0.01   0.01    -0.01   0.01  -0.00
    32   6    -0.00   0.05  -0.02    -0.01  -0.01   0.02    -0.01   0.01   0.00
    33   6    -0.03   0.05   0.06     0.04  -0.00  -0.04     0.02   0.01  -0.02
    34   6     0.02   0.01   0.01     0.11   0.05   0.07    -0.03  -0.02  -0.04
    35   6     0.02  -0.01  -0.01     0.10  -0.03  -0.06    -0.02   0.01   0.02
    36   6    -0.01  -0.00  -0.02    -0.06  -0.07  -0.08     0.02   0.03   0.02
    37   6    -0.02  -0.00   0.02    -0.13  -0.02   0.08     0.03   0.02  -0.01
    38   6     0.02  -0.00  -0.04    -0.00  -0.00   0.02     0.00   0.00   0.00
    39   6    -0.06   0.05   0.01     0.03  -0.02   0.00     0.01  -0.00  -0.00
    40   6    -0.01  -0.05  -0.03     0.01   0.02   0.00     0.00   0.01  -0.00
    41   6    -0.02   0.01   0.04     0.01   0.00  -0.02    -0.01  -0.00   0.00
    42   6     0.01   0.03   0.04     0.01  -0.01  -0.01    -0.00   0.01  -0.01
    43   6     0.04  -0.04  -0.04    -0.01   0.01   0.01    -0.01   0.01  -0.01
    44   6     0.01   0.08   0.02    -0.01  -0.02  -0.01    -0.01  -0.01   0.01
    45   6    -0.01  -0.02  -0.05     0.01   0.01   0.01    -0.00  -0.01   0.01
    46   6    -0.01   0.02  -0.03    -0.02  -0.01   0.03    -0.02  -0.00   0.02
    47   6     0.07   0.01  -0.00    -0.05  -0.00   0.02    -0.03  -0.00   0.02
    48   6     0.01  -0.04  -0.01     0.00   0.04  -0.01     0.00   0.02  -0.02
    49   6     0.02   0.00   0.02    -0.01   0.03  -0.04    -0.00   0.03  -0.03
    50   6     0.01   0.04   0.06    -0.03  -0.01   0.02    -0.03  -0.00   0.03
    51   6    -0.08  -0.03  -0.04     0.00  -0.01   0.01    -0.02  -0.01   0.02
    52   6     0.02   0.10   0.02     0.00  -0.00  -0.01    -0.00   0.03  -0.02
    53   6    -0.00  -0.02  -0.06    -0.01   0.02  -0.01     0.00   0.02  -0.02
    54   6    -0.01  -0.00  -0.02    -0.03  -0.02  -0.07     0.02  -0.01   0.01
    55   6     0.03  -0.02  -0.00     0.13  -0.05  -0.03    -0.02   0.02  -0.01
    56   6     0.01   0.02  -0.00     0.05   0.08   0.01    -0.01  -0.02   0.01
    57   6     0.01  -0.00   0.02     0.03  -0.00   0.05     0.00   0.03  -0.00
    58   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.02   0.00  -0.04
    59   6    -0.01  -0.01   0.00    -0.08   0.01   0.01     0.03  -0.02  -0.01
    60   6    -0.01  -0.01  -0.01    -0.07  -0.09  -0.04     0.02   0.05   0.02
    61   6     0.01  -0.00  -0.00     0.05   0.00  -0.04    -0.01   0.00   0.03
    62   1     0.06   0.06  -0.20    -0.01  -0.04   0.17    -0.03   0.04  -0.05
    63   1    -0.01  -0.03  -0.13     0.07  -0.08   0.08     0.07  -0.13  -0.03
    64   1     0.06   0.07  -0.35     0.01  -0.04   0.18     0.04   0.01  -0.04
    65   1    -0.03   0.09  -0.23     0.01   0.02   0.00     0.01   0.10   0.01
    66   1    -0.03   0.10  -0.33    -0.03   0.01   0.05    -0.07   0.10  -0.01
    67   1     0.02  -0.02  -0.16    -0.01  -0.06   0.02     0.06  -0.16   0.01
    68   1     0.02  -0.00   0.08    -0.11   0.16  -0.03    -0.17   0.48  -0.00
    69   1    -0.00   0.02  -0.04     0.07  -0.02   0.05     0.09  -0.22  -0.00
    70   1     0.04  -0.03  -0.14     0.14  -0.03  -0.42     0.12   0.16   0.27
    71   1     0.01  -0.03  -0.09    -0.08  -0.11  -0.13    -0.13   0.09   0.10
    72   1     0.06  -0.07  -0.05    -0.02   0.02   0.02    -0.01   0.01  -0.01
    73   1    -0.06   0.05   0.03     0.03  -0.03  -0.00     0.01  -0.01  -0.00
    74   1     0.04  -0.11  -0.09    -0.02   0.04   0.02     0.00   0.01  -0.00
    75   1    -0.03  -0.01  -0.05     0.02   0.00   0.01     0.00  -0.02   0.01
    76   1     0.03   0.03  -0.04    -0.00  -0.02   0.02    -0.00  -0.01  -0.00
    77   1     0.04  -0.14  -0.11    -0.02   0.03   0.03     0.00   0.02  -0.01
    78   1     0.01   0.10   0.05    -0.01  -0.02  -0.01    -0.00  -0.02   0.01
    79   1    -0.00  -0.09  -0.05     0.00   0.04   0.01    -0.00   0.01  -0.00
    80   1    -0.09  -0.04  -0.03     0.01   0.00   0.02    -0.02  -0.00   0.02
    81   1     0.06  -0.00  -0.01    -0.05  -0.02   0.03    -0.03  -0.02   0.03
    82   1    -0.06  -0.07  -0.06     0.06   0.02  -0.01     0.05  -0.00  -0.02
    83   1     0.03  -0.02  -0.07    -0.02   0.03  -0.00    -0.01   0.03  -0.02
    84   1    -0.01   0.05  -0.03    -0.02  -0.02   0.05    -0.04  -0.00   0.03
    85   1    -0.12  -0.14  -0.12     0.03  -0.02   0.02     0.01  -0.05   0.02
    86   1     0.05   0.13   0.06     0.02  -0.00  -0.02     0.02   0.03  -0.03
    87   1    -0.04  -0.09  -0.05    -0.00   0.05  -0.02     0.00   0.02  -0.02
    88   1    -0.02   0.01  -0.00    -0.11   0.07   0.02     0.05  -0.05  -0.00
    89   1     0.03  -0.03   0.01     0.13  -0.06  -0.01    -0.03   0.01  -0.02
    90   1    -0.02   0.04  -0.02    -0.05   0.13  -0.03    -0.00  -0.06   0.04
    91   1     0.02  -0.01  -0.01     0.10  -0.04  -0.09    -0.01   0.02   0.05
    92   1    -0.01  -0.01  -0.03    -0.03  -0.08  -0.12     0.03   0.01   0.02
    93   1    -0.01   0.00   0.00    -0.04   0.08  -0.01     0.00  -0.08   0.01
    94   1    -0.02   0.00  -0.01    -0.08  -0.09  -0.03     0.01   0.06   0.02
    95   1     0.01   0.02   0.01     0.05   0.12   0.04    -0.00  -0.04   0.01
    96  17    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --    611.4384               615.2061               627.5497
 Red. masses --      6.1233                 7.7753                 7.2052
 Frc consts  --      1.3488                 1.7338                 1.6718
 IR Inten    --      0.1139                 8.1931                16.6518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.00   0.14     0.00   0.14   0.08     0.06  -0.04  -0.02
     2   6     0.03   0.02  -0.04     0.05   0.09  -0.00     0.04  -0.05  -0.01
     3   6    -0.01   0.01  -0.11    -0.07  -0.09  -0.05     0.00  -0.07   0.02
     4   6    -0.02  -0.01  -0.05    -0.06  -0.11  -0.00    -0.03   0.02  -0.01
     5   6     0.02  -0.03   0.09    -0.20  -0.09   0.01     0.00   0.02   0.00
     6   6     0.05   0.02  -0.10    -0.02   0.11  -0.02     0.03   0.03   0.00
     7   6    -0.02   0.02   0.13     0.01  -0.12   0.01     0.01  -0.06  -0.00
     8   6    -0.03   0.04   0.04     0.13   0.01   0.02     0.06   0.03  -0.02
     9   6    -0.02   0.01   0.02     0.19   0.06   0.00     0.07   0.02   0.02
    10   6    -0.03  -0.01  -0.01     0.18   0.10  -0.00     0.01   0.10  -0.00
    11   6     0.03  -0.05   0.04    -0.01  -0.10   0.01    -0.01  -0.05  -0.00
    12   6     0.02  -0.03  -0.18    -0.13  -0.05  -0.02    -0.07  -0.03  -0.02
    13   6     0.03  -0.07   0.10    -0.09   0.02   0.02    -0.03   0.04  -0.00
    14   6    -0.00   0.05  -0.08    -0.06   0.03  -0.02    -0.03   0.05   0.01
    15   7    -0.02   0.01  -0.00     0.07  -0.07  -0.00    -0.02  -0.12  -0.00
    16   6    -0.00   0.01  -0.01     0.03  -0.10   0.00    -0.05  -0.03  -0.01
    17   6    -0.02   0.00   0.01     0.05  -0.04   0.01    -0.16  -0.00   0.04
    18   7    -0.04  -0.01  -0.00     0.19   0.14   0.01    -0.03   0.21  -0.01
    19   6     0.03   0.03   0.00    -0.09  -0.19  -0.01     0.10   0.10  -0.02
    20   6     0.05  -0.00  -0.00    -0.19   0.02   0.00     0.13   0.02   0.03
    21   6     0.02  -0.01  -0.01    -0.15   0.05  -0.02    -0.00  -0.01  -0.06
    22   6    -0.00  -0.03  -0.00    -0.06   0.10   0.00    -0.13  -0.13   0.00
    23   7    -0.09  -0.13   0.03    -0.05   0.03  -0.02     0.05  -0.03   0.02
    24   7    -0.05   0.17  -0.01    -0.10   0.00  -0.02    -0.05  -0.02   0.01
    25   7     0.02  -0.01   0.01    -0.09   0.00   0.01     0.02  -0.09   0.05
    26   6     0.10   0.06  -0.06     0.02  -0.02   0.02    -0.03  -0.03   0.02
    27   6     0.09  -0.04   0.06     0.04  -0.00   0.01    -0.01   0.03  -0.03
    28   6    -0.05  -0.09   0.06     0.00  -0.02   0.02     0.00   0.03  -0.02
    29   6    -0.12  -0.01  -0.06    -0.06   0.03  -0.05     0.01   0.03  -0.02
    30   6     0.07  -0.10   0.06    -0.00   0.03  -0.02    -0.01  -0.02   0.02
    31   6     0.10   0.00  -0.07    -0.00  -0.01   0.02    -0.01  -0.00   0.00
    32   6    -0.01   0.10  -0.06     0.01  -0.02   0.01    -0.01   0.00   0.01
    33   6    -0.10   0.06   0.05    -0.01  -0.02   0.02     0.02   0.00  -0.02
    34   6    -0.00   0.01   0.00     0.03  -0.01  -0.02    -0.10  -0.01  -0.00
    35   6    -0.00   0.00   0.00     0.04  -0.01  -0.02    -0.05   0.11   0.13
    36   6    -0.00   0.00   0.00     0.01  -0.02  -0.03    -0.04   0.11   0.13
    37   6     0.01  -0.00  -0.01    -0.06   0.02   0.04     0.08   0.05   0.01
    38   6    -0.02  -0.02   0.05     0.02  -0.03   0.04    -0.02  -0.02   0.01
    39   6     0.11  -0.03   0.01     0.07  -0.03   0.04     0.01  -0.02   0.02
    40   6     0.04   0.08  -0.02     0.02   0.05  -0.03     0.01  -0.01   0.01
    41   6    -0.00  -0.01  -0.03     0.02   0.05  -0.05     0.04   0.04  -0.03
    42   6     0.00  -0.00  -0.05     0.05  -0.02   0.04     0.00  -0.03   0.03
    43   6    -0.08   0.05  -0.02     0.00  -0.01   0.01     0.03  -0.04   0.04
    44   6    -0.07  -0.10   0.01    -0.00   0.02  -0.03     0.03   0.03  -0.02
    45   6     0.03  -0.01   0.05     0.02   0.03  -0.02     0.02   0.03  -0.02
    46   6    -0.01   0.02  -0.04     0.01   0.01  -0.02    -0.02   0.00   0.02
    47   6     0.10  -0.02  -0.02     0.02   0.01  -0.02    -0.03  -0.00   0.01
    48   6     0.00  -0.08   0.03    -0.00  -0.01   0.00     0.01   0.02  -0.02
    49   6    -0.01   0.01   0.03     0.01  -0.04   0.03     0.00   0.02  -0.03
    50   6     0.00  -0.00   0.05     0.03   0.01  -0.03    -0.04   0.00   0.02
    51   6    -0.09  -0.01   0.03     0.03   0.01  -0.03    -0.01   0.01   0.01
    52   6    -0.03   0.12  -0.02     0.01  -0.04   0.03    -0.00   0.02  -0.03
    53   6     0.02   0.00  -0.05    -0.00  -0.03   0.02     0.02   0.01  -0.01
    54   6    -0.01  -0.00   0.01     0.03  -0.02  -0.04    -0.15  -0.06   0.02
    55   6    -0.01   0.01   0.00     0.07  -0.02  -0.04    -0.08  -0.02  -0.04
    56   6     0.00  -0.01  -0.00     0.01   0.05   0.04     0.04  -0.14  -0.13
    57   6    -0.00  -0.00  -0.01     0.01   0.04   0.05     0.14   0.06  -0.02
    58   6    -0.01   0.00   0.00     0.05  -0.01  -0.03    -0.13  -0.05  -0.04
    59   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.07  -0.13  -0.14
    60   6    -0.00   0.00  -0.01    -0.01   0.01   0.03     0.08   0.05  -0.03
    61   6     0.00  -0.00  -0.00    -0.00   0.02   0.02     0.15   0.05   0.04
    62   1     0.02   0.04  -0.07     0.02   0.19  -0.06     0.03  -0.01  -0.00
    63   1     0.03  -0.08   0.16    -0.18  -0.15  -0.01     0.02  -0.02   0.02
    64   1     0.10   0.03  -0.27     0.18   0.08  -0.12    -0.01   0.04   0.03
    65   1    -0.01  -0.10   0.11     0.08   0.01   0.01     0.03  -0.01   0.04
    66   1     0.11  -0.10   0.32    -0.02   0.01   0.03     0.03   0.02   0.04
    67   1     0.04   0.10  -0.12    -0.15  -0.05  -0.06    -0.08   0.01   0.04
    68   1    -0.01   0.02   0.01     0.00  -0.11   0.00    -0.02  -0.21  -0.02
    69   1     0.03   0.03   0.02    -0.06  -0.20  -0.01     0.16   0.09   0.03
    70   1     0.04  -0.02   0.02    -0.10   0.13   0.02     0.13   0.03   0.15
    71   1     0.01  -0.03  -0.00    -0.17   0.11   0.03    -0.17  -0.12   0.05
    72   1    -0.10   0.09  -0.02    -0.01   0.00   0.01    -0.00  -0.03   0.03
    73   1     0.10  -0.05   0.02     0.05  -0.05   0.06     0.02  -0.01   0.01
    74   1    -0.03   0.12   0.02    -0.07   0.04  -0.04    -0.05  -0.02   0.01
    75   1     0.06  -0.06   0.09     0.05   0.03  -0.01     0.03   0.05  -0.04
    76   1    -0.02  -0.08   0.09     0.05  -0.04   0.06     0.01   0.01   0.00
    77   1    -0.04   0.13   0.02    -0.05  -0.04   0.02    -0.01  -0.05   0.05
    78   1    -0.05  -0.11   0.02    -0.02   0.03  -0.04    -0.01   0.05  -0.05
    79   1     0.03   0.13  -0.02     0.02   0.06  -0.04     0.02  -0.00   0.01
    80   1    -0.12  -0.04   0.04     0.02   0.01  -0.03    -0.01   0.01   0.02
    81   1     0.10  -0.00  -0.02     0.02   0.02  -0.02    -0.02  -0.03   0.03
    82   1    -0.06  -0.09   0.00    -0.05   0.01   0.00     0.05   0.01  -0.02
    83   1     0.07   0.04  -0.09    -0.00  -0.05   0.03    -0.00   0.02  -0.02
    84   1     0.01   0.08  -0.08     0.02  -0.01  -0.02    -0.03   0.01   0.02
    85   1    -0.08  -0.10   0.00    -0.01   0.04  -0.04     0.02  -0.03   0.02
    86   1    -0.00   0.12  -0.03    -0.02  -0.04   0.04    -0.00   0.02  -0.03
    87   1    -0.02  -0.12   0.03     0.00  -0.01   0.00     0.02   0.01  -0.00
    88   1    -0.00  -0.01   0.01     0.01   0.01  -0.01    -0.07  -0.15  -0.05
    89   1    -0.01   0.01   0.01     0.05  -0.06  -0.06     0.02   0.12   0.08
    90   1     0.01  -0.02  -0.00    -0.07   0.04   0.05     0.00  -0.19  -0.09
    91   1    -0.00  -0.01  -0.01     0.03   0.02   0.02     0.08   0.10   0.09
    92   1    -0.01   0.00   0.01     0.05  -0.04  -0.05    -0.12   0.03   0.07
    93   1     0.01  -0.01   0.01    -0.05  -0.02  -0.02     0.11  -0.15  -0.10
    94   1    -0.00   0.00  -0.01    -0.01   0.01   0.04    -0.09   0.09   0.08
    95   1     0.00  -0.01   0.00    -0.00   0.05   0.04     0.15  -0.06  -0.04
    96  17     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --    628.5867               631.0403               632.6510
 Red. masses --      7.0077                 6.8066                 6.7170
 Frc consts  --      1.6314                 1.5970                 1.5840
 IR Inten    --      1.8020                 0.3748                21.7351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.06     0.01  -0.02   0.06     0.05  -0.05  -0.03
     2   6    -0.02  -0.01  -0.01     0.01  -0.01  -0.01     0.03  -0.05  -0.01
     3   6     0.01   0.04   0.03     0.00  -0.00  -0.04     0.00  -0.06   0.05
     4   6     0.02   0.03  -0.04    -0.01   0.00  -0.01    -0.03   0.03   0.00
     5   6     0.06   0.03   0.00     0.01  -0.00   0.03     0.02   0.03   0.00
     6   6     0.02  -0.02  -0.00     0.01   0.00  -0.03     0.03   0.03   0.00
     7   6     0.00   0.04   0.03    -0.00   0.01   0.04     0.00  -0.05  -0.02
     8   6     0.00   0.04  -0.04    -0.01   0.01   0.01     0.04   0.02  -0.03
     9   6     0.04  -0.02   0.03    -0.01   0.00   0.01     0.05   0.01   0.03
    10   6    -0.03  -0.02   0.01    -0.02   0.00  -0.01    -0.01   0.08  -0.02
    11   6     0.01  -0.03  -0.01     0.01  -0.01   0.01    -0.02  -0.03  -0.01
    12   6    -0.03  -0.03  -0.06     0.00  -0.00  -0.06    -0.05  -0.02   0.01
    13   6    -0.04  -0.01   0.00     0.00  -0.01   0.03    -0.01   0.04  -0.01
    14   6    -0.06   0.06   0.00    -0.00   0.02  -0.03    -0.01   0.03   0.01
    15   7     0.08   0.02   0.00    -0.00   0.01   0.00    -0.03  -0.11   0.00
    16   6     0.07   0.01  -0.01     0.00   0.00  -0.01    -0.05  -0.02  -0.02
    17   6    -0.02   0.04   0.01    -0.02   0.00   0.02    -0.14  -0.00   0.08
    18   7    -0.05  -0.00  -0.01    -0.02   0.00  -0.00    -0.04   0.17  -0.02
    19   6     0.01  -0.08  -0.01     0.02   0.01  -0.01     0.09   0.11  -0.04
    20   6    -0.01  -0.05  -0.00     0.03  -0.00   0.01     0.12   0.01   0.05
    21   6    -0.09  -0.02  -0.02     0.01  -0.00  -0.03     0.02  -0.01  -0.15
    22   6    -0.04   0.05   0.01    -0.01  -0.01   0.00    -0.09  -0.13   0.01
    23   7     0.00  -0.02   0.01    -0.02  -0.04   0.02     0.05  -0.02   0.02
    24   7    -0.02  -0.03   0.01    -0.01   0.04  -0.01    -0.03  -0.03   0.02
    25   7    -0.06  -0.02   0.00     0.01  -0.01   0.00     0.04  -0.10   0.02
    26   6    -0.09  -0.02  -0.00    -0.05   0.03  -0.04     0.00  -0.04   0.03
    27   6    -0.04   0.11  -0.12     0.00   0.10  -0.09    -0.01  -0.03   0.03
    28   6    -0.02   0.12  -0.11    -0.06   0.08  -0.09     0.03  -0.02   0.03
    29   6     0.07   0.05  -0.02     0.02   0.05  -0.04    -0.01  -0.01   0.01
    30   6     0.07  -0.05  -0.01    -0.06  -0.01   0.05     0.00  -0.02   0.01
    31   6     0.07   0.07  -0.11    -0.04  -0.10   0.11     0.00   0.01  -0.01
    32   6     0.06   0.09  -0.11    -0.09  -0.05   0.12    -0.00   0.01  -0.01
    33   6    -0.05   0.07  -0.02     0.01  -0.06   0.04     0.02   0.01  -0.02
    34   6     0.01  -0.02  -0.03     0.02  -0.00  -0.01     0.05  -0.02  -0.05
    35   6     0.02  -0.02  -0.02     0.00  -0.03  -0.04    -0.01  -0.08  -0.11
    36   6     0.01  -0.02  -0.03     0.02  -0.02  -0.04     0.07  -0.06  -0.11
    37   6    -0.04   0.01   0.02    -0.01  -0.02  -0.02    -0.01  -0.05  -0.06
    38   6    -0.13  -0.05  -0.01    -0.16  -0.05   0.00     0.07   0.01   0.01
    39   6    -0.05  -0.04   0.03    -0.02  -0.05   0.03     0.02   0.01  -0.00
    40   6     0.03  -0.12   0.12     0.05  -0.10   0.11    -0.02   0.04  -0.05
    41   6     0.14   0.05  -0.00     0.14   0.04   0.00    -0.04   0.00  -0.02
    42   6    -0.12  -0.06   0.02    -0.14  -0.05  -0.01     0.07   0.00   0.02
    43   6     0.06  -0.13   0.13     0.01  -0.11   0.11     0.01   0.03  -0.03
    44   6     0.08   0.03   0.01     0.04  -0.03   0.04    -0.00   0.04  -0.03
    45   6     0.14   0.06  -0.02     0.16   0.05   0.00    -0.07  -0.01  -0.02
    46   6     0.10  -0.09  -0.01    -0.15   0.13   0.01     0.00  -0.01   0.02
    47   6     0.04  -0.06   0.03    -0.01   0.06  -0.04    -0.03  -0.01   0.02
    48   6    -0.06  -0.09   0.12     0.09   0.08  -0.14    -0.00   0.01   0.00
    49   6    -0.10   0.09   0.01     0.13  -0.11  -0.01    -0.01   0.04  -0.03
    50   6     0.09  -0.09   0.01    -0.13   0.12   0.01    -0.02  -0.01   0.02
    51   6    -0.08  -0.08   0.13     0.06   0.10  -0.13    -0.02  -0.01   0.03
    52   6    -0.06   0.05   0.02     0.06   0.01  -0.05    -0.01   0.02  -0.02
    53   6    -0.09   0.10  -0.02     0.15  -0.13  -0.01    -0.00   0.02  -0.01
    54   6     0.04  -0.00  -0.02     0.05   0.02   0.00     0.18   0.06   0.03
    55   6     0.04  -0.00  -0.02     0.01   0.02   0.01     0.00   0.07   0.04
    56   6    -0.00   0.04   0.05    -0.02   0.03   0.04    -0.06   0.06   0.14
    57   6    -0.01   0.02   0.04    -0.05  -0.02  -0.01    -0.16  -0.05  -0.03
    58   6     0.06  -0.00  -0.03     0.05   0.02   0.00     0.15   0.06  -0.01
    59   6     0.01   0.01   0.01    -0.01   0.03   0.05    -0.01   0.09   0.14
    60   6    -0.00   0.03   0.03    -0.02   0.01   0.01    -0.05   0.04   0.04
    61   6    -0.03   0.00   0.02    -0.05  -0.02  -0.00    -0.18  -0.07   0.01
    62   1    -0.01  -0.04   0.05     0.01  -0.01  -0.05     0.02  -0.02  -0.03
    63   1     0.06   0.04   0.09     0.01  -0.02   0.03     0.03   0.00   0.00
    64   1    -0.03  -0.02   0.10     0.01   0.01  -0.11    -0.03   0.03   0.04
    65   1     0.00  -0.04   0.07     0.00  -0.02   0.05     0.01   0.00   0.03
    66   1     0.02  -0.04   0.11     0.02  -0.02   0.11     0.02   0.03   0.00
    67   1    -0.05   0.07   0.08     0.00   0.03  -0.03    -0.05  -0.00   0.05
    68   1     0.07   0.02  -0.02    -0.01   0.01   0.00    -0.01  -0.19  -0.02
    69   1    -0.06  -0.07   0.02     0.02   0.01   0.02     0.14   0.10   0.07
    70   1     0.04   0.01   0.04     0.02  -0.01   0.05     0.10  -0.01   0.29
    71   1     0.01   0.04   0.03    -0.00  -0.02   0.01    -0.11  -0.12   0.11
    72   1    -0.08  -0.12   0.06    -0.13  -0.08   0.04     0.07   0.02   0.00
    73   1     0.04   0.09  -0.06     0.08   0.09  -0.06    -0.03  -0.05   0.04
    74   1    -0.04  -0.13   0.10    -0.03  -0.10   0.10    -0.02   0.04  -0.05
    75   1     0.08   0.12  -0.08     0.10   0.08  -0.04    -0.03  -0.00  -0.00
    76   1    -0.11   0.04  -0.06    -0.14   0.00  -0.04     0.07   0.00   0.02
    77   1     0.08  -0.11   0.12     0.09  -0.06   0.10    -0.05  -0.00  -0.02
    78   1    -0.08   0.08  -0.09    -0.11   0.03  -0.06     0.05   0.02   0.00
    79   1     0.13  -0.04   0.06     0.16   0.01   0.04    -0.07  -0.01  -0.01
    80   1     0.03  -0.12   0.06    -0.11   0.15  -0.04     0.00  -0.01   0.02
    81   1     0.00   0.09  -0.06     0.04  -0.13   0.08    -0.03  -0.01   0.02
    82   1    -0.02  -0.12   0.10     0.02   0.13  -0.13     0.04  -0.01  -0.00
    83   1    -0.03   0.13  -0.08     0.08  -0.13   0.05    -0.01   0.04  -0.03
    84   1     0.11  -0.01  -0.07    -0.15   0.06   0.06    -0.02   0.00   0.01
    85   1    -0.11  -0.05   0.12     0.12   0.02  -0.12     0.01  -0.03   0.04
    86   1     0.09   0.03  -0.08    -0.13   0.03   0.07     0.01   0.02  -0.04
    87   1    -0.12   0.02   0.06     0.16  -0.09  -0.05    -0.00   0.02   0.00
    88   1     0.03   0.01   0.00     0.04   0.03   0.02     0.16   0.06   0.08
    89   1     0.01  -0.04  -0.05    -0.02  -0.03  -0.03    -0.10  -0.07  -0.08
    90   1    -0.04   0.04   0.05     0.01   0.03   0.04     0.06   0.05   0.15
    91   1     0.01   0.01   0.01    -0.03  -0.03  -0.02    -0.13  -0.10  -0.06
    92   1     0.06  -0.02  -0.04     0.04  -0.00  -0.02     0.15   0.01  -0.05
    93   1    -0.05  -0.02   0.00    -0.03   0.02   0.04    -0.09   0.02   0.14
    94   1     0.02   0.02   0.02     0.04  -0.01  -0.03     0.13   0.01  -0.08
    95   1    -0.03   0.02   0.03    -0.05  -0.01   0.02    -0.17  -0.06   0.06
    96  17     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    633.7114               650.1501               670.9694
 Red. masses --      7.1657                 5.4104                 5.1286
 Frc consts  --      1.6955                 1.3474                 1.3604
 IR Inten    --      6.1661                15.3214                14.6991
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08  -0.03     0.01   0.06  -0.13     0.03  -0.02  -0.02
     2   6    -0.04  -0.05  -0.00     0.16   0.01  -0.02     0.05  -0.04   0.02
     3   6     0.05   0.10   0.02     0.05  -0.10   0.09     0.01  -0.05  -0.08
     4   6     0.07   0.08  -0.00    -0.00  -0.04  -0.14    -0.01   0.01   0.00
     5   6     0.16   0.09   0.01    -0.13   0.01   0.01    -0.03   0.04  -0.03
     6   6     0.01  -0.07  -0.00    -0.03   0.13  -0.01    -0.02   0.06   0.02
     7   6    -0.01   0.11   0.01    -0.08  -0.08   0.11    -0.03  -0.05   0.04
     8   6    -0.03   0.10  -0.00    -0.01  -0.04  -0.15     0.01   0.01   0.03
     9   6     0.06  -0.08   0.00    -0.01  -0.05   0.07     0.02  -0.01  -0.09
    10   6    -0.07  -0.08  -0.00    -0.01  -0.05   0.05    -0.02  -0.02   0.10
    11   6     0.02  -0.07  -0.01    -0.14   0.07  -0.02    -0.05  -0.02  -0.00
    12   6    -0.04  -0.09  -0.02     0.00   0.05  -0.13    -0.03  -0.02   0.00
    13   6    -0.06  -0.06  -0.01     0.08   0.11   0.00     0.04   0.05  -0.00
    14   6    -0.13   0.15   0.01     0.12  -0.04   0.01     0.05   0.03   0.01
    15   7     0.17   0.02   0.01     0.02  -0.01  -0.00     0.02  -0.02  -0.01
    16   6     0.14   0.05  -0.00     0.01   0.02  -0.02     0.01  -0.02   0.08
    17   6    -0.04   0.10  -0.00     0.01   0.02  -0.01     0.00   0.01  -0.19
    18   7    -0.12  -0.03  -0.00    -0.02  -0.03  -0.01    -0.03  -0.04   0.04
    19   6     0.02  -0.13  -0.00    -0.02   0.00   0.01     0.01  -0.01   0.05
    20   6    -0.02  -0.11  -0.01    -0.01  -0.02  -0.01    -0.02   0.04  -0.03
    21   6    -0.17  -0.05  -0.00    -0.01  -0.01   0.01    -0.02   0.00   0.27
    22   6    -0.07   0.10   0.01     0.02   0.02   0.00    -0.01   0.05  -0.01
    23   7     0.01  -0.04   0.03    -0.03  -0.01   0.09     0.04  -0.01   0.00
    24   7    -0.04  -0.05   0.03     0.02  -0.02   0.09    -0.04   0.02   0.01
    25   7    -0.12  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.04  -0.09
    26   6     0.01  -0.05   0.05    -0.05  -0.05   0.03     0.01  -0.00   0.01
    27   6    -0.01  -0.05   0.04    -0.07  -0.01  -0.02     0.01  -0.00  -0.00
    28   6     0.05  -0.03   0.05     0.06   0.03  -0.02    -0.02  -0.02   0.00
    29   6    -0.01  -0.01   0.01     0.08  -0.02   0.04    -0.04   0.02  -0.02
    30   6    -0.02  -0.03   0.04     0.03  -0.06   0.03    -0.00  -0.00   0.01
    31   6    -0.00  -0.04   0.04     0.06  -0.04  -0.02    -0.01   0.00   0.00
    32   6    -0.05  -0.00   0.04    -0.05   0.06  -0.02     0.01  -0.01   0.00
    33   6    -0.00  -0.01   0.01    -0.08   0.02   0.05     0.03   0.00  -0.02
    34   6    -0.01  -0.05  -0.05     0.01   0.01   0.00    -0.09  -0.09  -0.07
    35   6     0.01   0.01   0.01     0.01   0.00   0.00    -0.12  -0.01   0.03
    36   6     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.10   0.07   0.04
    37   6    -0.04   0.04   0.06    -0.02   0.01   0.01     0.12  -0.01  -0.06
    38   6     0.11   0.02   0.01     0.07   0.05  -0.01    -0.03  -0.02   0.02
    39   6     0.02   0.02  -0.01    -0.06   0.01  -0.04     0.04  -0.02   0.02
    40   6    -0.03   0.06  -0.07    -0.04  -0.02   0.01     0.01   0.02  -0.01
    41   6    -0.07  -0.00  -0.02    -0.02  -0.03   0.01     0.02   0.03  -0.03
    42   6     0.11   0.01   0.03     0.03  -0.01  -0.00     0.01  -0.01   0.01
    43   6     0.02   0.05  -0.04     0.03   0.02   0.01    -0.00  -0.00   0.01
    44   6    -0.00   0.05  -0.05     0.03   0.03  -0.03     0.00   0.00  -0.01
    45   6    -0.11  -0.01  -0.03    -0.08  -0.01  -0.01     0.01   0.02  -0.00
    46   6    -0.07   0.06   0.01    -0.05   0.07  -0.02     0.01  -0.03   0.02
    47   6    -0.00   0.02  -0.01     0.06  -0.01  -0.05    -0.04  -0.00   0.02
    48   6     0.04   0.03  -0.06     0.03  -0.03   0.01    -0.00   0.02  -0.01
    49   6     0.05  -0.03  -0.01     0.01  -0.05   0.02    -0.01   0.03  -0.03
    50   6    -0.08   0.04   0.02    -0.02   0.01  -0.00    -0.02  -0.00   0.01
    51   6     0.00   0.04  -0.04    -0.02   0.03   0.00    -0.00  -0.00   0.01
    52   6     0.02   0.04  -0.04    -0.02   0.04  -0.03    -0.00   0.01  -0.01
    53   6     0.07  -0.05  -0.02     0.07  -0.05  -0.01    -0.00   0.01  -0.01
    54   6     0.00  -0.03  -0.04    -0.01  -0.01  -0.01     0.11   0.06   0.03
    55   6     0.06  -0.03  -0.06     0.01  -0.01  -0.01    -0.09   0.01   0.05
    56   6     0.02   0.03   0.03     0.01   0.01  -0.00    -0.05  -0.04  -0.03
    57   6     0.05   0.07   0.07     0.01   0.01   0.01    -0.02  -0.04  -0.02
    58   6     0.06  -0.03  -0.07    -0.00  -0.00   0.00     0.05  -0.01  -0.03
    59   6     0.03  -0.03  -0.05    -0.01  -0.00  -0.01     0.07  -0.00  -0.03
    60   6     0.03   0.05   0.05    -0.00  -0.01  -0.00     0.06   0.07   0.06
    61   6     0.01   0.04   0.04     0.01   0.01  -0.00    -0.13  -0.02   0.02
    62   1    -0.01  -0.15   0.02     0.15   0.01   0.14     0.04  -0.03   0.16
    63   1     0.14   0.16   0.03    -0.13  -0.03   0.28    -0.03   0.03   0.01
    64   1    -0.14  -0.04   0.04     0.02   0.09   0.30    -0.06   0.06   0.09
    65   1    -0.04  -0.14   0.02    -0.14   0.06   0.13    -0.05  -0.01  -0.09
    66   1     0.10  -0.10   0.02     0.02   0.09   0.30     0.09   0.04  -0.04
    67   1    -0.08   0.21   0.03     0.10  -0.09   0.26     0.04   0.03  -0.03
    68   1     0.18   0.02   0.00     0.06  -0.01  -0.06     0.03  -0.03   0.02
    69   1    -0.14  -0.11   0.00    -0.05   0.01   0.04     0.04  -0.00  -0.25
    70   1     0.08   0.00  -0.01    -0.02  -0.03  -0.01     0.01   0.07  -0.52
    71   1     0.07   0.08   0.01     0.05   0.01   0.01    -0.02   0.06  -0.16
    72   1     0.11   0.03  -0.00     0.11  -0.00   0.06    -0.05   0.01  -0.00
    73   1    -0.05  -0.07   0.06    -0.08  -0.02  -0.02     0.04  -0.02   0.02
    74   1    -0.01   0.06  -0.07     0.02   0.00   0.03    -0.05   0.02  -0.02
    75   1    -0.06  -0.01   0.00    -0.07   0.02  -0.04     0.04   0.01  -0.01
    76   1     0.11   0.01   0.04     0.03   0.06  -0.04     0.01  -0.02   0.01
    77   1    -0.08  -0.01  -0.03    -0.01   0.01   0.03    -0.02  -0.01   0.02
    78   1     0.08   0.03   0.01     0.08   0.02  -0.00    -0.01   0.01  -0.02
    79   1    -0.11  -0.02  -0.02    -0.09  -0.07   0.06     0.01   0.03  -0.00
    80   1    -0.07   0.06   0.00    -0.11   0.05   0.06     0.03  -0.01  -0.00
    81   1     0.02  -0.07   0.05     0.07  -0.05  -0.02    -0.03   0.00   0.02
    82   1     0.02   0.04  -0.06    -0.03   0.01   0.04     0.05   0.00  -0.02
    83   1     0.04  -0.03   0.00     0.07  -0.01  -0.04    -0.02   0.03  -0.00
    84   1    -0.07   0.04   0.03     0.00   0.07  -0.05    -0.02  -0.00   0.02
    85   1     0.05  -0.02  -0.03     0.01   0.01   0.02     0.01  -0.02   0.02
    86   1    -0.05   0.04   0.01    -0.07   0.04   0.00     0.01   0.01  -0.02
    87   1     0.07  -0.05  -0.02     0.06  -0.11   0.06     0.00   0.02  -0.01
    88   1    -0.00  -0.03  -0.03    -0.02   0.00  -0.00     0.20  -0.02  -0.09
    89   1     0.05  -0.04  -0.07     0.02  -0.00  -0.00    -0.12  -0.03   0.00
    90   1    -0.10   0.02   0.04    -0.01   0.01  -0.00     0.03  -0.01  -0.05
    91   1     0.06   0.06   0.05     0.02   0.00  -0.00    -0.09   0.04   0.05
    92   1     0.06  -0.02  -0.04    -0.00  -0.01  -0.01     0.06   0.08   0.06
    93   1    -0.05  -0.08  -0.07    -0.00   0.01  -0.01    -0.02  -0.05  -0.05
    94   1    -0.01   0.06   0.08    -0.01  -0.01   0.01     0.11   0.06   0.02
    95   1     0.01   0.03   0.02     0.01   0.02   0.00    -0.14  -0.13  -0.10
    96  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --    676.2575               686.7303               687.9047
 Red. masses --      5.9002                 4.9013                 6.6311
 Frc consts  --      1.5898                 1.3619                 1.8488
 IR Inten    --      3.9986                 0.4641                12.5374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.06     0.01   0.03  -0.25    -0.05   0.05   0.02
     2   6    -0.18   0.07  -0.00     0.02   0.03   0.02     0.02   0.04   0.00
     3   6    -0.12   0.08   0.03    -0.01  -0.00   0.15     0.03   0.04  -0.03
     4   6    -0.08   0.02  -0.06     0.00  -0.02   0.02     0.05  -0.05  -0.02
     5   6     0.10  -0.06  -0.00     0.00  -0.01  -0.08     0.02  -0.10  -0.00
     6   6     0.10  -0.07  -0.00     0.02   0.01   0.07     0.01  -0.12  -0.01
     7   6     0.15   0.03   0.07    -0.02   0.01  -0.16    -0.03   0.05   0.05
     8   6     0.09   0.00  -0.07    -0.01   0.01  -0.01    -0.08  -0.02  -0.01
     9   6     0.03   0.09   0.01     0.00   0.00  -0.01    -0.03   0.06  -0.02
    10   6     0.01   0.08   0.06     0.01   0.00   0.01     0.07   0.08   0.04
    11   6     0.20  -0.02  -0.01    -0.01  -0.02  -0.02    -0.02   0.06   0.00
    12   6    -0.03   0.01  -0.02     0.01  -0.03   0.26     0.09   0.04  -0.04
    13   6    -0.12  -0.02  -0.02     0.02  -0.03  -0.08    -0.05  -0.11   0.00
    14   6    -0.12  -0.00   0.02     0.01  -0.01   0.07    -0.06  -0.09  -0.01
    15   7    -0.05   0.04  -0.00     0.00  -0.01  -0.00    -0.04   0.04  -0.00
    16   6    -0.04  -0.06   0.02     0.00  -0.00   0.00     0.01  -0.04   0.03
    17   6     0.03  -0.06  -0.07    -0.00   0.01  -0.00    -0.06  -0.00  -0.05
    18   7     0.06   0.01   0.01     0.01   0.02  -0.00     0.06   0.16   0.02
    19   6    -0.04  -0.03   0.01     0.01  -0.00  -0.00     0.11  -0.01   0.00
    20   6    -0.06   0.06  -0.01     0.01  -0.00   0.00     0.11   0.02  -0.00
    21   6     0.05   0.04   0.08    -0.01  -0.00  -0.01    -0.07  -0.00   0.06
    22   6     0.02  -0.01  -0.00    -0.01   0.00   0.00    -0.10  -0.03  -0.00
    23   7    -0.05  -0.06  -0.00    -0.02  -0.01   0.05    -0.07   0.04  -0.01
    24   7     0.00  -0.07  -0.01    -0.00   0.02  -0.05     0.11   0.02   0.01
    25   7     0.07   0.02  -0.02    -0.01  -0.01   0.00    -0.07  -0.07  -0.00
    26   6    -0.05  -0.07   0.04     0.06   0.06  -0.04     0.01   0.06  -0.05
    27   6    -0.07   0.00  -0.01     0.09   0.00   0.02     0.01   0.01   0.00
    28   6     0.05   0.04  -0.00    -0.07  -0.05   0.02     0.06   0.02  -0.01
    29   6     0.06  -0.01   0.02    -0.08   0.01  -0.04     0.09  -0.05   0.07
    30   6     0.02  -0.08   0.04     0.03  -0.06   0.03     0.00   0.05  -0.05
    31   6     0.07  -0.03  -0.01     0.07  -0.03  -0.02    -0.01   0.02   0.01
    32   6    -0.03   0.07  -0.01    -0.05   0.07  -0.02    -0.02   0.02   0.00
    33   6    -0.07   0.01   0.03    -0.09   0.02   0.05    -0.06  -0.01   0.05
    34   6    -0.01   0.02   0.02    -0.00  -0.01  -0.01    -0.05  -0.09  -0.08
    35   6    -0.02   0.00   0.01    -0.00  -0.00   0.00    -0.08  -0.01   0.01
    36   6     0.04   0.02   0.02    -0.00  -0.00  -0.00     0.01   0.03   0.00
    37   6     0.06  -0.02  -0.05    -0.01   0.00   0.01    -0.00   0.02   0.03
    38   6     0.06   0.02  -0.02    -0.08  -0.04   0.02     0.07   0.07  -0.05
    39   6    -0.04   0.02  -0.01     0.06  -0.01   0.03    -0.10   0.05  -0.08
    40   6    -0.02  -0.03  -0.00     0.03   0.04  -0.02    -0.03  -0.07   0.05
    41   6    -0.01  -0.01   0.02     0.01   0.03  -0.02    -0.06  -0.11   0.09
    42   6     0.05  -0.01   0.04    -0.03   0.02  -0.02    -0.09   0.05  -0.08
    43   6     0.05  -0.02   0.01    -0.05   0.01  -0.03    -0.04   0.03  -0.04
    44   6     0.04   0.06  -0.03    -0.04  -0.05   0.03    -0.03  -0.06   0.06
    45   6    -0.08  -0.01  -0.03     0.09   0.01   0.02     0.04  -0.03   0.03
    46   6    -0.06   0.06  -0.02    -0.06   0.08  -0.02    -0.02   0.05  -0.04
    47   6     0.06  -0.00  -0.02     0.07  -0.01  -0.04     0.07   0.01  -0.05
    48   6     0.01  -0.05   0.00     0.01  -0.05   0.03    -0.00  -0.05   0.03
    49   6     0.01  -0.03   0.03     0.00  -0.05   0.03     0.01  -0.08   0.07
    50   6    -0.03   0.01   0.04    -0.02  -0.01   0.01     0.08   0.00  -0.06
    51   6    -0.05   0.00   0.01    -0.04   0.01   0.02     0.04   0.00  -0.04
    52   6    -0.01   0.07  -0.02    -0.02   0.04  -0.02     0.01  -0.06   0.05
    53   6     0.07  -0.05  -0.03     0.06  -0.05  -0.01    -0.05   0.00   0.03
    54   6     0.04   0.04   0.03    -0.00  -0.01  -0.01     0.02  -0.02  -0.02
    55   6    -0.06   0.02   0.05     0.01  -0.00  -0.01     0.02  -0.01  -0.04
    56   6    -0.02  -0.03  -0.04     0.00   0.01   0.01    -0.00   0.01   0.03
    57   6    -0.03  -0.06  -0.05     0.01   0.01   0.01     0.02   0.06   0.05
    58   6    -0.04   0.02   0.04     0.01  -0.00  -0.01     0.10  -0.03  -0.09
    59   6    -0.01   0.01   0.02     0.01  -0.00  -0.01     0.07  -0.03  -0.05
    60   6    -0.01  -0.03  -0.03     0.00   0.01   0.01     0.05   0.09   0.08
    61   6    -0.00  -0.02  -0.02    -0.01   0.00   0.01    -0.11  -0.00   0.05
    62   1    -0.22   0.17   0.09     0.01   0.01   0.23     0.04  -0.04   0.02
    63   1     0.13  -0.17   0.12     0.01  -0.04   0.01     0.00  -0.05   0.02
    64   1     0.14  -0.08   0.13     0.04  -0.02   0.44     0.12  -0.14  -0.02
    65   1     0.28   0.07  -0.06    -0.03  -0.02  -0.22    -0.08  -0.01  -0.01
    66   1    -0.14  -0.02   0.02     0.02  -0.00  -0.43    -0.18  -0.09   0.04
    67   1    -0.17  -0.07   0.10     0.03   0.02  -0.02    -0.03  -0.07   0.01
    68   1    -0.13   0.06  -0.03     0.01  -0.02  -0.00    -0.09   0.07  -0.00
    69   1     0.04  -0.04  -0.07     0.01  -0.00  -0.00     0.16  -0.01  -0.06
    70   1    -0.07   0.04  -0.14     0.02   0.01   0.02     0.18   0.12  -0.08
    71   1    -0.08   0.01  -0.02    -0.00  -0.00   0.01    -0.13  -0.03  -0.01
    72   1     0.10  -0.04   0.02    -0.14   0.03  -0.06     0.12   0.02   0.03
    73   1    -0.06  -0.01   0.01     0.08   0.02   0.01    -0.10   0.04  -0.07
    74   1     0.02  -0.03  -0.01    -0.03   0.03  -0.04     0.16  -0.04   0.09
    75   1    -0.04   0.03  -0.02     0.06  -0.03   0.03    -0.10  -0.07   0.04
    76   1     0.05   0.04  -0.00    -0.03  -0.07   0.01    -0.10   0.03  -0.05
    77   1    -0.03  -0.07   0.01     0.02   0.03  -0.05     0.09   0.09  -0.07
    78   1     0.06   0.05  -0.01    -0.07  -0.04   0.00    -0.02  -0.07   0.07
    79   1    -0.08  -0.09   0.02     0.10   0.10  -0.06     0.05  -0.01  -0.00
    80   1    -0.13   0.02   0.03    -0.14   0.04   0.07    -0.06   0.04   0.01
    81   1     0.07  -0.03   0.00     0.08  -0.04  -0.02     0.07   0.01  -0.05
    82   1    -0.05  -0.02   0.01    -0.06  -0.00   0.05    -0.11   0.02   0.06
    83   1     0.06   0.00  -0.02     0.07  -0.01  -0.03     0.04  -0.07   0.04
    84   1    -0.01   0.07  -0.01     0.02   0.06  -0.03     0.08  -0.01  -0.03
    85   1    -0.01  -0.06   0.01    -0.00  -0.01   0.03    -0.04   0.09  -0.06
    86   1    -0.04   0.07  -0.00    -0.05   0.05   0.01     0.00  -0.06   0.06
    87   1     0.04  -0.13   0.03     0.04  -0.12   0.06    -0.04   0.03  -0.01
    88   1     0.07   0.01  -0.03    -0.01  -0.00   0.00     0.03  -0.05  -0.01
    89   1    -0.07   0.01   0.05     0.01  -0.00  -0.01     0.01  -0.03  -0.05
    90   1     0.08  -0.01  -0.06    -0.02   0.00   0.01    -0.08  -0.01   0.05
    91   1    -0.06  -0.03  -0.01     0.01   0.01   0.01     0.02   0.07   0.05
    92   1    -0.04   0.02   0.05     0.01  -0.00  -0.01     0.10   0.03  -0.03
    93   1     0.04   0.04   0.03    -0.01  -0.01  -0.01    -0.08  -0.11  -0.08
    94   1     0.01  -0.03  -0.04     0.00   0.01   0.01     0.07   0.09   0.06
    95   1    -0.00  -0.02  -0.03    -0.01  -0.00  -0.00    -0.11  -0.08  -0.05
    96  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    699.1510               719.7844               721.7970
 Red. masses --      6.4286                 4.6598                 6.1304
 Frc consts  --      1.8514                 1.4224                 1.8818
 IR Inten    --     36.5645                 2.0117                10.4998
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01    -0.00  -0.00   0.02     0.01   0.01  -0.02
     2   6     0.10  -0.01  -0.00    -0.04   0.01  -0.02     0.19  -0.04  -0.00
     3   6     0.10  -0.01  -0.01    -0.02   0.00   0.20     0.09  -0.08   0.05
     4   6     0.06  -0.02   0.01    -0.00   0.01  -0.08    -0.00  -0.05  -0.01
     5   6     0.04  -0.05  -0.00     0.02   0.00   0.06    -0.12  -0.05  -0.00
     6   6    -0.00  -0.09  -0.00     0.01  -0.01  -0.05    -0.04   0.03  -0.00
     7   6     0.06  -0.01   0.01     0.01   0.01  -0.20     0.03   0.01  -0.08
     8   6     0.03   0.01   0.00     0.01  -0.02   0.07     0.00   0.08   0.04
     9   6    -0.06   0.06  -0.00    -0.01  -0.01   0.21     0.02   0.02   0.04
    10   6    -0.07  -0.03  -0.00     0.02   0.02  -0.21    -0.06  -0.01  -0.05
    11   6     0.05  -0.02  -0.00    -0.00   0.01   0.02     0.07  -0.07   0.01
    12   6    -0.05  -0.02  -0.01    -0.00   0.01  -0.03    -0.02  -0.04   0.00
    13   6     0.03   0.05   0.00     0.01   0.01   0.05    -0.07  -0.03   0.01
    14   6     0.05   0.02  -0.00     0.02  -0.03  -0.06    -0.14   0.15  -0.01
    15   7    -0.03   0.13   0.01    -0.01  -0.00  -0.05     0.05   0.07  -0.01
    16   6    -0.00   0.03   0.00    -0.01  -0.00  -0.16     0.06  -0.00  -0.03
    17   6    -0.06  -0.02   0.00     0.02  -0.02   0.12    -0.08   0.03   0.02
    18   7    -0.09  -0.08  -0.01     0.02  -0.01   0.06    -0.10   0.01   0.01
    19   6     0.04   0.06  -0.00     0.00   0.02   0.11     0.01  -0.12   0.02
    20   6     0.07  -0.01   0.00    -0.00   0.03  -0.10    -0.01  -0.05  -0.02
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.18    -0.05   0.00   0.04
    22   6    -0.06  -0.07  -0.00     0.01   0.01  -0.08    -0.08   0.03  -0.02
    23   7    -0.08   0.08   0.00     0.00   0.00  -0.00     0.01   0.01   0.02
    24   7    -0.09  -0.03  -0.00    -0.00  -0.01  -0.00     0.02   0.00  -0.01
    25   7     0.01  -0.01   0.01    -0.01   0.00  -0.01     0.03   0.01   0.00
    26   6    -0.03  -0.08   0.06     0.00  -0.02  -0.01     0.01   0.03  -0.06
    27   6    -0.05  -0.02  -0.01    -0.01   0.01   0.01     0.04   0.04   0.02
    28   6    -0.05  -0.01   0.01    -0.01   0.01   0.02     0.05   0.02   0.01
    29   6    -0.06   0.05  -0.06    -0.00  -0.00  -0.02     0.03  -0.04   0.03
    30   6     0.00   0.11  -0.09     0.01   0.00   0.01     0.02   0.04   0.00
    31   6    -0.05   0.05   0.01    -0.00  -0.01  -0.01    -0.03  -0.00  -0.02
    32   6    -0.05   0.03  -0.00    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
    33   6    -0.09  -0.02   0.08     0.00   0.01   0.01     0.01   0.01   0.02
    34   6    -0.00  -0.00   0.01    -0.02  -0.04  -0.03     0.00   0.05   0.07
    35   6    -0.01   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.04   0.00
    36   6     0.01   0.01  -0.00     0.00   0.02   0.00     0.08   0.02   0.00
    37   6     0.02  -0.01  -0.01     0.02  -0.00   0.01     0.06  -0.04  -0.08
    38   6    -0.07  -0.06   0.04    -0.01  -0.02  -0.01     0.09   0.04  -0.03
    39   6     0.08  -0.04   0.07     0.00   0.00   0.02    -0.05   0.03  -0.04
    40   6     0.02   0.05  -0.05     0.01  -0.00  -0.02    -0.02  -0.04   0.01
    41   6     0.06   0.11  -0.08     0.01   0.01  -0.01    -0.05  -0.08   0.06
    42   6     0.11  -0.05   0.09     0.02  -0.00   0.02    -0.09   0.04  -0.05
    43   6     0.05  -0.03   0.05     0.01  -0.01  -0.01    -0.03   0.00  -0.04
    44   6     0.04   0.08  -0.07     0.00   0.02   0.00    -0.02  -0.03   0.05
    45   6    -0.09   0.01  -0.04    -0.02  -0.01  -0.01     0.09   0.00   0.01
    46   6    -0.04   0.10  -0.05     0.00   0.01   0.01     0.00   0.02   0.01
    47   6     0.10   0.01  -0.09    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    48   6     0.00  -0.07   0.06     0.01   0.00   0.01     0.01   0.01   0.02
    49   6     0.02  -0.15   0.11    -0.00  -0.00   0.00     0.00  -0.02   0.00
    50   6     0.15   0.00  -0.12    -0.01  -0.00   0.00     0.02  -0.01  -0.03
    51   6     0.08   0.01  -0.07     0.00   0.01   0.01     0.02   0.01   0.00
    52   6     0.01  -0.12   0.09    -0.01  -0.00  -0.01    -0.01  -0.03   0.00
    53   6    -0.12   0.04   0.06     0.01   0.00   0.01    -0.02   0.03   0.02
    54   6     0.02   0.01   0.01     0.01  -0.01   0.00     0.14   0.07   0.04
    55   6    -0.02   0.01   0.01    -0.01   0.00  -0.01    -0.07   0.03   0.07
    56   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.05  -0.05
    57   6    -0.01  -0.01  -0.02     0.01   0.02   0.01    -0.08  -0.12  -0.11
    58   6    -0.01   0.00   0.00     0.04  -0.02  -0.03    -0.13   0.04   0.09
    59   6     0.00  -0.00   0.01     0.03  -0.02  -0.02    -0.04   0.01   0.04
    60   6    -0.00   0.00  -0.01     0.02   0.03   0.02    -0.02  -0.05  -0.07
    61   6     0.00  -0.01   0.00    -0.06  -0.02   0.02     0.13   0.02  -0.02
    62   1     0.13  -0.13   0.01    -0.03   0.04  -0.41     0.22  -0.12  -0.06
    63   1     0.03  -0.00  -0.01     0.02   0.00   0.04    -0.13  -0.05   0.00
    64   1     0.07  -0.10  -0.03    -0.00   0.00  -0.13     0.03   0.02   0.03
    65   1     0.09   0.03  -0.01     0.01  -0.01   0.41     0.08  -0.07   0.11
    66   1     0.09   0.04   0.02    -0.02   0.00   0.13     0.06  -0.05  -0.01
    67   1     0.04   0.01   0.01     0.01  -0.04  -0.05    -0.13   0.18  -0.04
    68   1    -0.08   0.23   0.00    -0.01  -0.01   0.00    -0.01   0.11   0.00
    69   1     0.01   0.06   0.01     0.04   0.01   0.15    -0.06  -0.11   0.02
    70   1     0.05  -0.02   0.02    -0.00   0.03  -0.25     0.04   0.01  -0.06
    71   1    -0.07  -0.07   0.00     0.00   0.02  -0.38    -0.08   0.03  -0.08
    72   1    -0.10  -0.03  -0.03    -0.02  -0.01  -0.01     0.11   0.02   0.04
    73   1     0.09  -0.04   0.06    -0.00   0.03   0.04    -0.08   0.04   0.03
    74   1    -0.15   0.02  -0.08    -0.03   0.02   0.01     0.10   0.02   0.08
    75   1     0.08   0.08  -0.05    -0.00   0.06   0.05    -0.08  -0.02   0.10
    76   1     0.12  -0.02   0.05     0.00   0.03   0.05    -0.10   0.04  -0.02
    77   1    -0.10  -0.11   0.08    -0.02  -0.01   0.02     0.08   0.06  -0.06
    78   1     0.05   0.08  -0.06     0.00   0.03   0.02    -0.06  -0.03   0.02
    79   1    -0.10  -0.04   0.03    -0.02  -0.02  -0.00     0.10   0.03  -0.06
    80   1    -0.09   0.08   0.03    -0.00   0.00   0.00     0.00   0.02   0.01
    81   1     0.11  -0.00  -0.08    -0.02  -0.02  -0.03    -0.02  -0.03  -0.03
    82   1    -0.18   0.05   0.11    -0.02  -0.02  -0.01    -0.02  -0.00  -0.01
    83   1     0.06  -0.13   0.07    -0.03  -0.03  -0.05    -0.03  -0.06  -0.04
    84   1     0.14  -0.05  -0.07    -0.03  -0.02  -0.03    -0.00  -0.04  -0.05
    85   1    -0.07   0.18  -0.11    -0.00  -0.01   0.00    -0.01   0.04  -0.01
    86   1     0.02  -0.12   0.08    -0.02  -0.01  -0.02    -0.00  -0.04  -0.02
    87   1    -0.10   0.11  -0.04     0.01  -0.00   0.01    -0.01   0.05   0.00
    88   1     0.03  -0.01  -0.00     0.02  -0.02  -0.01     0.19   0.04  -0.07
    89   1    -0.02   0.01   0.00    -0.01   0.01  -0.02    -0.12   0.01   0.01
    90   1     0.03  -0.01  -0.01    -0.02  -0.00  -0.01     0.16   0.01  -0.10
    91   1    -0.02  -0.00  -0.01    -0.00   0.06   0.00    -0.11  -0.08  -0.10
    92   1    -0.01   0.01  -0.00     0.03   0.05  -0.05    -0.14   0.03   0.07
    93   1     0.01   0.00   0.01    -0.04  -0.02  -0.06     0.12   0.08   0.08
    94   1     0.00   0.00  -0.01     0.03   0.05  -0.01    -0.07  -0.05  -0.02
    95   1     0.00  -0.01   0.00    -0.07  -0.05  -0.05     0.14   0.05   0.06
    96  17     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --    727.9446               739.0906               739.2948
 Red. masses --      6.2306                 3.0296                 3.0290
 Frc consts  --      1.9452                 0.9751                 0.9754
 IR Inten    --     18.4989                21.4111                13.9154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06   0.01    -0.00  -0.00   0.04     0.00  -0.01   0.02
     2   6    -0.16  -0.03   0.00    -0.00   0.00  -0.02    -0.01  -0.00  -0.00
     3   6    -0.07   0.03  -0.01    -0.00   0.01   0.02    -0.00  -0.00   0.02
     4   6     0.02   0.09   0.02     0.00   0.00  -0.04    -0.00   0.01  -0.03
     5   6     0.22   0.11   0.01     0.00  -0.00   0.02     0.01   0.00   0.01
     6   6     0.07  -0.04  -0.00    -0.00  -0.01  -0.02     0.01  -0.00  -0.01
     7   6    -0.12  -0.04  -0.01     0.01   0.00   0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.07   0.02     0.00   0.01  -0.08     0.00   0.00  -0.01
     9   6     0.07  -0.06   0.01    -0.00   0.00   0.03    -0.00   0.00   0.01
    10   6     0.03   0.04  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.21   0.05   0.01     0.01  -0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.03    -0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.06   0.02   0.02    -0.01  -0.01  -0.02    -0.00   0.00  -0.01
    14   6     0.13  -0.13  -0.03    -0.01   0.01   0.03    -0.00   0.00   0.01
    15   7     0.07  -0.12  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.01
    16   6     0.03  -0.04  -0.01     0.00   0.00  -0.03    -0.00  -0.00   0.02
    17   6    -0.02   0.05   0.00     0.00  -0.00   0.02    -0.00  -0.00  -0.01
    18   7     0.02   0.15   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.01
    19   6    -0.02  -0.13   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    20   6    -0.06  -0.04  -0.01    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.06   0.01   0.01    -0.00   0.00   0.02     0.00  -0.00   0.00
    22   6    -0.03   0.06  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    23   7    -0.01   0.00  -0.01    -0.01  -0.02  -0.02    -0.02  -0.02  -0.03
    24   7    -0.01   0.01   0.02     0.01  -0.04  -0.05     0.00  -0.00  -0.01
    25   7     0.01   0.00  -0.00    -0.01   0.02  -0.02     0.01  -0.04   0.04
    26   6    -0.00   0.04   0.02    -0.03   0.09   0.09    -0.00   0.01   0.01
    27   6     0.02  -0.02  -0.02     0.03  -0.08  -0.09     0.01  -0.01  -0.01
    28   6     0.00  -0.02  -0.02     0.03  -0.09  -0.09     0.00  -0.01  -0.01
    29   6    -0.01   0.02   0.02    -0.03   0.09   0.09    -0.00   0.01   0.01
    30   6    -0.00   0.01  -0.05     0.03   0.04   0.04     0.04   0.04   0.05
    31   6    -0.01   0.05   0.02    -0.03  -0.03  -0.04    -0.04  -0.04  -0.05
    32   6    -0.03   0.04   0.02    -0.03  -0.04  -0.04    -0.04  -0.04  -0.05
    33   6    -0.04  -0.03   0.03     0.03   0.03   0.04     0.04   0.04   0.05
    34   6    -0.01   0.04   0.05     0.01  -0.04   0.03    -0.04   0.11  -0.10
    35   6     0.05   0.03   0.01    -0.01   0.04  -0.03     0.02  -0.11   0.09
    36   6     0.06  -0.00   0.01    -0.01   0.04  -0.03     0.03  -0.10   0.09
    37   6     0.03  -0.02  -0.06     0.01  -0.04   0.03    -0.03   0.11  -0.09
    38   6    -0.00   0.01   0.02    -0.02   0.06   0.06    -0.00   0.01   0.01
    39   6     0.01  -0.01  -0.01     0.01  -0.04  -0.04     0.00  -0.00  -0.00
    40   6    -0.00   0.02   0.01    -0.02   0.07   0.07    -0.00   0.01   0.01
    41   6    -0.00  -0.01  -0.01     0.00  -0.02  -0.02    -0.00  -0.00  -0.00
    42   6    -0.01  -0.01  -0.03     0.00  -0.02  -0.03    -0.00  -0.00  -0.00
    43   6    -0.01   0.02   0.01    -0.02   0.06   0.07    -0.00   0.01   0.01
    44   6    -0.00  -0.02  -0.01     0.01  -0.04  -0.04     0.00  -0.01  -0.00
    45   6     0.02   0.02   0.02    -0.01   0.06   0.06     0.00   0.01   0.01
    46   6    -0.07   0.06  -0.02     0.03   0.02   0.03     0.02   0.03   0.03
    47   6     0.04   0.01  -0.03    -0.02  -0.01  -0.01    -0.01  -0.02  -0.02
    48   6    -0.00  -0.04   0.01     0.02   0.03   0.03     0.03   0.03   0.04
    49   6     0.02  -0.08   0.06    -0.01  -0.00  -0.01    -0.01  -0.02  -0.01
    50   6     0.08   0.00  -0.04    -0.01  -0.01  -0.01    -0.00  -0.01  -0.02
    51   6     0.01  -0.01  -0.03     0.03   0.03   0.03     0.03   0.03   0.04
    52   6     0.01  -0.02   0.04    -0.01  -0.02  -0.02    -0.02  -0.02  -0.02
    53   6    -0.07   0.03   0.00     0.02   0.02   0.03     0.02   0.03   0.04
    54   6     0.10   0.06   0.02     0.01  -0.02   0.02    -0.02   0.07  -0.06
    55   6    -0.04   0.01   0.05    -0.01   0.02  -0.01     0.01  -0.05   0.03
    56   6    -0.02  -0.02  -0.03     0.01  -0.03   0.02    -0.02   0.08  -0.06
    57   6    -0.06  -0.09  -0.07    -0.00   0.01  -0.01     0.01  -0.02   0.02
    58   6    -0.11   0.03   0.07    -0.00   0.01  -0.01     0.02  -0.03   0.02
    59   6    -0.03   0.01   0.02     0.01  -0.03   0.02    -0.02   0.08  -0.07
    60   6    -0.01  -0.04  -0.04    -0.01   0.02  -0.01     0.02  -0.04   0.04
    61   6     0.11   0.03  -0.02     0.01  -0.03   0.02    -0.03   0.07  -0.06
    62   1    -0.18   0.02  -0.03     0.00   0.01  -0.09    -0.00   0.00  -0.07
    63   1     0.22   0.13  -0.02    -0.00  -0.00   0.04     0.01  -0.00   0.02
    64   1    -0.10  -0.00  -0.05     0.00  -0.00  -0.07     0.00   0.00  -0.04
    65   1    -0.26  -0.02   0.08     0.01   0.01  -0.17     0.01   0.00  -0.02
    66   1    -0.04   0.04   0.07    -0.00  -0.00  -0.09     0.00   0.00  -0.02
    67   1     0.11  -0.16  -0.02    -0.01   0.01   0.06    -0.00   0.00   0.01
    68   1     0.11  -0.19   0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.02
    69   1    -0.03  -0.13  -0.01    -0.00  -0.00   0.04     0.01   0.00   0.00
    70   1    -0.00   0.03  -0.04    -0.00   0.00  -0.02     0.00   0.00   0.04
    71   1    -0.01   0.06  -0.01    -0.00   0.00  -0.06     0.00  -0.00   0.07
    72   1    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    73   1     0.02  -0.04  -0.03     0.07  -0.21  -0.21     0.01  -0.02  -0.02
    74   1     0.00  -0.01  -0.02     0.04  -0.13  -0.13     0.01  -0.01  -0.02
    75   1     0.02  -0.06  -0.05     0.09  -0.28  -0.27     0.01  -0.03  -0.03
    76   1    -0.01  -0.04  -0.05     0.09  -0.26  -0.26     0.01  -0.03  -0.03
    77   1     0.01   0.03  -0.00     0.04  -0.11  -0.12     0.01  -0.01  -0.02
    78   1    -0.01  -0.03  -0.02     0.06  -0.19  -0.20     0.01  -0.02  -0.02
    79   1     0.02   0.04   0.01     0.01   0.01   0.00     0.00   0.00  -0.00
    80   1    -0.09   0.06   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.01
    81   1     0.08   0.01   0.04    -0.08  -0.08  -0.10    -0.08  -0.10  -0.11
    82   1    -0.06   0.05   0.07    -0.04  -0.05  -0.07    -0.06  -0.05  -0.06
    83   1     0.07  -0.03   0.10    -0.10  -0.11  -0.12    -0.11  -0.14  -0.14
    84   1     0.10   0.01  -0.02    -0.10  -0.11  -0.12    -0.11  -0.13  -0.15
    85   1    -0.05   0.06  -0.05    -0.04  -0.04  -0.06    -0.06  -0.05  -0.07
    86   1     0.04  -0.03   0.01    -0.07  -0.08  -0.09    -0.08  -0.10  -0.11
    87   1    -0.08   0.05  -0.06    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    88   1     0.13   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.01
    89   1    -0.07  -0.01  -0.00    -0.03   0.08  -0.07     0.07  -0.24   0.19
    90   1     0.11   0.02  -0.06    -0.01   0.05  -0.04     0.03  -0.14   0.11
    91   1    -0.07  -0.09  -0.06    -0.04   0.11  -0.09     0.10  -0.32   0.25
    92   1    -0.10  -0.01   0.09    -0.04   0.12  -0.09     0.11  -0.32   0.25
    93   1     0.10   0.04   0.08    -0.02   0.05  -0.04     0.04  -0.15   0.11
    94   1    -0.06  -0.06   0.02    -0.03   0.09  -0.07     0.08  -0.23   0.19
    95   1     0.12   0.04   0.06    -0.00  -0.00   0.00    -0.02  -0.01  -0.02
    96  17    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --    740.3624               743.2040               746.6342
 Red. masses --      3.1350                 5.0932                 5.4122
 Frc consts  --      1.0125                 1.6575                 1.7776
 IR Inten    --      4.6748                 2.9407                 1.1355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.02     0.01   0.01  -0.18     0.06  -0.07   0.01
     2   6    -0.03   0.00   0.02     0.01   0.00   0.09    -0.05  -0.08  -0.01
     3   6    -0.02   0.01  -0.03    -0.00  -0.01  -0.08    -0.06  -0.08  -0.01
     4   6    -0.00   0.01   0.01    -0.02  -0.01   0.16    -0.06   0.06   0.00
     5   6     0.03   0.01  -0.01    -0.01  -0.00  -0.08     0.06   0.08   0.01
     6   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.05   0.08  -0.00
     7   6    -0.02  -0.00   0.01     0.01  -0.00  -0.22     0.02  -0.10   0.02
     8   6    -0.00  -0.01   0.02     0.01  -0.02   0.27     0.07   0.03  -0.02
     9   6     0.01  -0.01  -0.03     0.00   0.01  -0.09     0.04  -0.00   0.00
    10   6     0.01   0.00   0.03    -0.00   0.00  -0.03    -0.05  -0.00   0.00
    11   6    -0.03   0.01  -0.00     0.01   0.00   0.11     0.02  -0.09  -0.01
    12   6     0.00   0.01  -0.01    -0.01   0.02  -0.21    -0.09  -0.04   0.01
    13   6     0.01   0.00  -0.00    -0.01   0.02   0.13    -0.02   0.10  -0.01
    14   6     0.02  -0.02  -0.01    -0.00   0.01  -0.11    -0.03   0.10   0.02
    15   7     0.00  -0.02   0.00    -0.01   0.01  -0.00     0.00  -0.03   0.00
    16   6    -0.00  -0.01   0.03    -0.01  -0.00   0.06    -0.03   0.02  -0.01
    17   6     0.01   0.01  -0.03     0.01  -0.01  -0.03     0.04  -0.03   0.01
    18   7     0.01   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.11  -0.01
    19   6    -0.00  -0.01  -0.02    -0.00   0.02  -0.02    -0.05   0.07   0.01
    20   6    -0.01  -0.00   0.02    -0.00   0.01   0.03    -0.04   0.03   0.00
    21   6    -0.00   0.00  -0.03     0.01   0.00  -0.04     0.06   0.00  -0.00
    22   6     0.01   0.01   0.02     0.01  -0.01   0.01     0.07  -0.01   0.00
    23   7    -0.03  -0.03  -0.05     0.00   0.00  -0.00     0.03  -0.02   0.00
    24   7    -0.01   0.02   0.03     0.01  -0.01  -0.02    -0.04  -0.01   0.01
    25   7    -0.01   0.02  -0.02     0.01  -0.00   0.00     0.02   0.02  -0.01
    26   6     0.02  -0.05  -0.05    -0.03   0.03   0.06    -0.03   0.01  -0.06
    27   6    -0.02   0.05   0.05    -0.02  -0.05  -0.06     0.04   0.05  -0.00
    28   6    -0.02   0.05   0.05     0.05  -0.02  -0.06     0.05  -0.01   0.02
    29   6     0.02  -0.05  -0.06     0.01   0.06   0.07    -0.02  -0.03   0.05
    30   6     0.07   0.07   0.09     0.02  -0.01   0.02     0.03  -0.00  -0.06
    31   6    -0.06  -0.07  -0.09     0.02  -0.02  -0.02    -0.02   0.06  -0.01
    32   6    -0.07  -0.06  -0.09    -0.03   0.01  -0.02    -0.05   0.01   0.02
    33   6     0.06   0.08   0.09    -0.01   0.02   0.03     0.01  -0.03   0.05
    34   6     0.02  -0.05   0.04     0.01   0.00  -0.00     0.03  -0.01  -0.03
    35   6    -0.01   0.05  -0.04     0.00  -0.01  -0.00    -0.02  -0.02  -0.02
    36   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.00    -0.05   0.01   0.00
    37   6     0.01  -0.05   0.04    -0.01   0.01   0.01     0.01   0.01   0.04
    38   6     0.00  -0.04  -0.04     0.03   0.05   0.02     0.13   0.03   0.00
    39   6    -0.00   0.02   0.02    -0.02  -0.02  -0.04     0.02   0.00  -0.02
    40   6     0.01  -0.04  -0.04    -0.02   0.01   0.05    -0.02   0.00  -0.02
    41   6     0.00   0.02   0.01     0.00  -0.04  -0.01    -0.09  -0.10   0.05
    42   6     0.00   0.01   0.02     0.01  -0.02  -0.00    -0.13   0.03  -0.05
    43   6     0.01  -0.04  -0.04     0.00   0.02   0.05    -0.02  -0.01   0.00
    44   6    -0.01   0.02   0.02     0.02  -0.00  -0.03     0.01   0.00   0.02
    45   6     0.00  -0.04  -0.04    -0.05   0.02   0.03     0.14   0.05  -0.01
    46   6     0.03   0.06   0.06    -0.02   0.03   0.00    -0.11   0.08   0.01
    47   6    -0.02  -0.03  -0.04     0.01  -0.01  -0.02    -0.02   0.01  -0.02
    48   6     0.05   0.05   0.07     0.01  -0.01   0.02     0.01  -0.00  -0.02
    49   6    -0.02  -0.03  -0.02    -0.01  -0.02   0.00     0.04  -0.12   0.05
    50   6    -0.01  -0.02  -0.02    -0.01  -0.01   0.00     0.13  -0.02  -0.05
    51   6     0.05   0.05   0.07    -0.01   0.00   0.03     0.01  -0.02   0.00
    52   6    -0.03  -0.02  -0.03    -0.01   0.01  -0.01    -0.00   0.01   0.02
    53   6     0.05   0.05   0.06     0.03  -0.01   0.00    -0.10   0.10  -0.00
    54   6     0.00  -0.03   0.03    -0.03  -0.01  -0.00    -0.10  -0.04   0.00
    55   6    -0.00   0.02  -0.02     0.01  -0.00  -0.01    -0.00  -0.00  -0.02
    56   6     0.01  -0.03   0.03     0.00   0.01   0.00     0.02  -0.00   0.00
    57   6    -0.00   0.01  -0.01     0.01   0.02   0.01     0.06   0.07   0.05
    58   6    -0.01   0.02  -0.01     0.02   0.00  -0.01     0.08  -0.01  -0.03
    59   6     0.01  -0.03   0.03    -0.00   0.00   0.00     0.00   0.01   0.02
    60   6    -0.01   0.02  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    61   6     0.02  -0.03   0.02    -0.01  -0.00  -0.00    -0.07  -0.04  -0.01
    62   1    -0.04   0.02   0.01    -0.00   0.00   0.23    -0.08   0.02   0.01
    63   1     0.03   0.01  -0.02     0.00  -0.02  -0.21     0.10  -0.02   0.00
    64   1    -0.01   0.00  -0.02     0.01   0.01   0.18    -0.08   0.11  -0.00
    65   1    -0.03   0.00   0.02     0.03  -0.01   0.45     0.08  -0.01  -0.05
    66   1    -0.01   0.00   0.04    -0.01   0.01   0.16     0.10   0.07   0.00
    67   1     0.02  -0.03  -0.01    -0.02   0.01  -0.31    -0.08   0.05   0.03
    68   1     0.01  -0.03   0.00    -0.01   0.01   0.06     0.02  -0.07   0.00
    69   1    -0.00  -0.01  -0.05     0.00   0.02  -0.09    -0.03   0.07   0.01
    70   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.10  -0.05  -0.01
    71   1     0.01   0.00   0.05     0.00  -0.01   0.06     0.07  -0.01  -0.03
    72   1    -0.01  -0.01  -0.01     0.06   0.01   0.06     0.13   0.08   0.10
    73   1    -0.03   0.11   0.11    -0.01  -0.07  -0.07    -0.07  -0.00   0.13
    74   1    -0.03   0.06   0.06     0.03  -0.04   0.00     0.07   0.09   0.08
    75   1    -0.04   0.16   0.14     0.02  -0.10  -0.09    -0.08  -0.08   0.14
    76   1    -0.05   0.15   0.16     0.06  -0.13  -0.15    -0.12   0.05  -0.10
    77   1    -0.03   0.07   0.08     0.02  -0.10  -0.05     0.10   0.00  -0.06
    78   1    -0.04   0.12   0.13     0.07  -0.10  -0.12    -0.08  -0.01  -0.10
    79   1    -0.01   0.00   0.01    -0.04  -0.06   0.02     0.16   0.04  -0.10
    80   1    -0.02   0.01   0.02    -0.04   0.02   0.04    -0.08   0.13   0.11
    81   1    -0.13  -0.16  -0.18     0.01  -0.02  -0.02     0.07  -0.02   0.13
    82   1    -0.09  -0.09  -0.10    -0.02  -0.00   0.03    -0.02   0.12   0.08
    83   1    -0.19  -0.22  -0.23    -0.00  -0.02  -0.02     0.05  -0.10   0.14
    84   1    -0.20  -0.21  -0.25    -0.03  -0.02  -0.04     0.11  -0.02  -0.12
    85   1    -0.10  -0.10  -0.12    -0.01  -0.03   0.00    -0.11   0.03  -0.07
    86   1    -0.16  -0.16  -0.20    -0.04  -0.01  -0.03     0.04  -0.06  -0.11
    87   1    -0.01  -0.01  -0.00     0.02  -0.05   0.03    -0.14   0.09  -0.10
    88   1    -0.01   0.01   0.00    -0.04  -0.01   0.02    -0.12  -0.04   0.06
    89   1    -0.03   0.11  -0.09     0.02   0.00   0.01     0.04   0.04   0.05
    90   1    -0.02   0.07  -0.05    -0.02  -0.01   0.01    -0.06  -0.02   0.02
    91   1    -0.04   0.14  -0.11     0.01   0.01   0.02     0.04   0.08   0.06
    92   1    -0.05   0.13  -0.10     0.02  -0.01  -0.01     0.07   0.01  -0.10
    93   1    -0.01   0.06  -0.04    -0.01  -0.00   0.00    -0.07   0.04  -0.05
    94   1    -0.04   0.09  -0.08     0.01  -0.01  -0.01     0.03   0.04  -0.09
    95   1     0.01   0.00   0.01    -0.01  -0.00  -0.00    -0.09  -0.00  -0.06
    96  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     97                     98                     99
                      A                      A                      A
 Frequencies --    755.6111               755.9728               756.3308
 Red. masses --      1.5599                 1.4995                 1.4953
 Frc consts  --      0.5247                 0.5049                 0.5040
 IR Inten    --      8.2566                 5.7125                 0.3315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00  -0.01    -0.00   0.00   0.00
     2   6     0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.03    -0.00  -0.00  -0.02     0.00   0.01  -0.00
     4   6     0.00  -0.01   0.04    -0.00   0.00   0.02     0.00   0.00  -0.00
     5   6    -0.01  -0.01  -0.01     0.00   0.00  -0.01     0.01  -0.00   0.00
     6   6    -0.00  -0.00   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.00
     7   6     0.00   0.00   0.02    -0.00  -0.01   0.00    -0.00   0.00   0.01
     8   6    -0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    11   6     0.00   0.00   0.00    -0.00  -0.00   0.01    -0.01   0.01  -0.01
    12   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    14   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    15   7    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.04    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.04     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   7     0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    19   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00  -0.00  -0.02    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.02     0.00   0.00   0.01    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    23   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   7     0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    25   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6    -0.00   0.02   0.02    -0.02   0.04   0.04     0.02  -0.05  -0.05
    27   6    -0.00  -0.01  -0.00     0.01  -0.01  -0.02    -0.01   0.02   0.02
    28   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.00  -0.02  -0.02
    29   6     0.01  -0.02  -0.02     0.01  -0.05  -0.04    -0.02   0.06   0.06
    30   6    -0.05  -0.05  -0.05     0.03   0.03   0.03     0.00   0.01   0.01
    31   6     0.02   0.01   0.02    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00
    32   6    -0.01  -0.01  -0.02     0.00   0.01   0.01     0.00   0.00   0.00
    33   6     0.04   0.05   0.06    -0.03  -0.04  -0.04    -0.01  -0.00  -0.01
    34   6    -0.02   0.04  -0.03    -0.01   0.05  -0.04    -0.02   0.05  -0.04
    35   6     0.00  -0.01   0.01     0.01  -0.02   0.01     0.01  -0.01   0.02
    36   6     0.00   0.01  -0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    37   6     0.01  -0.04   0.02     0.01  -0.05   0.04     0.01  -0.05   0.04
    38   6    -0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.02
    39   6    -0.01   0.01   0.01    -0.01   0.03   0.03     0.01  -0.04  -0.04
    40   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.01  -0.01  -0.01
    41   6     0.00   0.02   0.01    -0.02   0.02   0.03     0.02  -0.03  -0.04
    42   6     0.01  -0.01  -0.01    -0.00  -0.02  -0.03    -0.00   0.03   0.03
    43   6     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    44   6     0.00  -0.01  -0.01     0.01  -0.02  -0.03    -0.01   0.03   0.03
    45   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01   0.01   0.01
    46   6    -0.00  -0.02  -0.02    -0.00   0.02   0.01     0.01  -0.00   0.00
    47   6    -0.03  -0.03  -0.04     0.02   0.02   0.02     0.01   0.00   0.00
    48   6    -0.01  -0.01  -0.01     0.01   0.01   0.01     0.00   0.00   0.00
    49   6    -0.03  -0.02  -0.04     0.02   0.01   0.03    -0.00   0.01   0.00
    50   6     0.01   0.03   0.04    -0.01  -0.02  -0.02    -0.01  -0.00  -0.00
    51   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    52   6     0.03   0.03   0.03    -0.02  -0.02  -0.02    -0.00  -0.01  -0.01
    53   6     0.02   0.00   0.02    -0.01   0.00  -0.01     0.00  -0.01  -0.00
    54   6     0.01   0.01  -0.01    -0.00   0.01  -0.01     0.01   0.02  -0.01
    55   6    -0.01   0.02  -0.02    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    56   6    -0.00   0.01  -0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    57   6    -0.01   0.01  -0.02    -0.01   0.03  -0.02    -0.02   0.02  -0.03
    58   6    -0.00  -0.02   0.02     0.01  -0.03   0.02    -0.00  -0.03   0.03
    59   6     0.00  -0.01   0.00     0.00  -0.01   0.01     0.00  -0.01   0.01
    60   6     0.01  -0.02   0.02     0.01  -0.03   0.02     0.01  -0.03   0.03
    61   6     0.01  -0.00   0.01     0.01  -0.01   0.01     0.01  -0.01   0.01
    62   1     0.00  -0.00   0.09    -0.00  -0.00   0.02    -0.00   0.00  -0.00
    63   1    -0.01  -0.00  -0.06     0.01   0.00  -0.01     0.00   0.01   0.01
    64   1     0.00  -0.00  -0.02    -0.00   0.00   0.02     0.00  -0.01  -0.00
    65   1    -0.00   0.00  -0.05    -0.00  -0.00  -0.02    -0.01   0.00   0.01
    66   1    -0.01  -0.01   0.01     0.00   0.00   0.02    -0.00  -0.00  -0.02
    67   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.01  -0.01  -0.00
    68   1    -0.00   0.00   0.01     0.00  -0.00   0.01     0.00   0.00   0.00
    69   1     0.00  -0.01   0.05    -0.00  -0.00   0.02    -0.00  -0.00   0.01
    70   1     0.00   0.00   0.01    -0.01  -0.00   0.01     0.00  -0.00   0.01
    71   1    -0.00   0.00  -0.08    -0.00   0.00  -0.04    -0.01   0.00  -0.02
    72   1     0.02  -0.06  -0.07     0.06  -0.14  -0.15    -0.08   0.18   0.19
    73   1     0.02  -0.07  -0.08     0.05  -0.18  -0.17    -0.07   0.23   0.23
    74   1     0.02  -0.07  -0.07     0.06  -0.16  -0.17    -0.08   0.22   0.22
    75   1     0.01  -0.03  -0.04     0.02  -0.09  -0.07    -0.03   0.11   0.09
    76   1    -0.00   0.03   0.04    -0.03   0.07   0.06     0.04  -0.09  -0.08
    77   1    -0.03   0.07   0.07    -0.04   0.14   0.15     0.06  -0.19  -0.19
    78   1    -0.02   0.07   0.08    -0.06   0.16   0.15     0.07  -0.20  -0.20
    79   1    -0.03   0.06   0.07    -0.03   0.13   0.13     0.05  -0.17  -0.18
    80   1     0.15   0.15   0.19    -0.11  -0.10  -0.13    -0.02  -0.03  -0.03
    81   1     0.17   0.20   0.22    -0.12  -0.14  -0.15    -0.03  -0.02  -0.04
    82   1     0.17   0.18   0.21    -0.12  -0.12  -0.14    -0.02  -0.03  -0.03
    83   1     0.08   0.10   0.09    -0.05  -0.07  -0.06    -0.01  -0.01  -0.02
    84   1    -0.09  -0.08  -0.09     0.06   0.05   0.05     0.00   0.01   0.02
    85   1    -0.16  -0.18  -0.21     0.10   0.12   0.13     0.03   0.03   0.03
    86   1    -0.18  -0.19  -0.22     0.12   0.12   0.14     0.02   0.03   0.04
    87   1    -0.13  -0.17  -0.18     0.08   0.11   0.12     0.03   0.02   0.03
    88   1     0.05  -0.11   0.09     0.05  -0.15   0.13     0.07  -0.16   0.13
    89   1     0.04  -0.15   0.11     0.05  -0.18   0.15     0.06  -0.20   0.15
    90   1     0.05  -0.14   0.11     0.05  -0.17   0.14     0.06  -0.18   0.15
    91   1     0.02  -0.08   0.05     0.02  -0.08   0.06     0.02  -0.10   0.06
    92   1    -0.03   0.07  -0.05    -0.03   0.08  -0.07    -0.04   0.09  -0.06
    93   1    -0.04   0.14  -0.12    -0.06   0.18  -0.15    -0.06   0.19  -0.16
    94   1    -0.05   0.15  -0.11    -0.06   0.19  -0.16    -0.07   0.20  -0.16
    95   1    -0.03   0.13  -0.10    -0.05   0.16  -0.13    -0.04   0.17  -0.14
    96  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    100                    101                    102
                      A                      A                      A
 Frequencies --    760.8163               764.1080               765.0170
 Red. masses --      3.9030                 4.6532                 1.5546
 Frc consts  --      1.3311                 1.6007                 0.5360
 IR Inten    --      0.0901                 2.8275                98.5816
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08     0.04  -0.03  -0.01    -0.00   0.00   0.01
     2   6    -0.00   0.01   0.03     0.02  -0.02   0.00    -0.01   0.00  -0.00
     3   6     0.00   0.01  -0.20    -0.01  -0.02  -0.03    -0.00   0.00   0.01
     4   6    -0.00  -0.01   0.20    -0.04  -0.01   0.03     0.00   0.00  -0.01
     5   6     0.01   0.00  -0.06    -0.06  -0.00  -0.01     0.01  -0.00   0.00
     6   6     0.00  -0.01   0.08    -0.00   0.05   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.01   0.12     0.00   0.02   0.02     0.00  -0.00  -0.00
     8   6     0.01  -0.00  -0.08    -0.03   0.02  -0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.05    -0.00   0.01  -0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    12   6    -0.01  -0.00  -0.01     0.05   0.01  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.01  -0.02    -0.02  -0.04  -0.00     0.00   0.00  -0.00
    14   6     0.01  -0.01   0.01    -0.05   0.03   0.01     0.00  -0.00   0.00
    15   7    -0.00   0.00   0.05    -0.01  -0.03   0.01     0.00   0.00  -0.00
    16   6     0.00   0.01  -0.21     0.00  -0.02  -0.04    -0.00   0.00   0.01
    17   6    -0.00  -0.02   0.22     0.01   0.02   0.04    -0.00  -0.00  -0.01
    18   7     0.01  -0.00  -0.06     0.00   0.03  -0.01     0.00  -0.00   0.00
    19   6     0.00   0.01   0.06     0.01  -0.05   0.01    -0.00   0.00  -0.00
    20   6     0.00   0.01  -0.08    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    21   6    -0.01  -0.00   0.09     0.00   0.00   0.02     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.05     0.03   0.04  -0.00    -0.00  -0.00   0.00
    23   7    -0.01   0.00  -0.01     0.03  -0.04  -0.01    -0.03  -0.02  -0.04
    24   7    -0.01   0.01   0.01     0.05   0.02   0.00    -0.00  -0.01  -0.01
    25   7    -0.00  -0.01   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    26   6    -0.01  -0.02  -0.02     0.09  -0.02   0.01    -0.01   0.02   0.02
    27   6    -0.01   0.02   0.01    -0.00  -0.04   0.04     0.00  -0.00  -0.01
    28   6     0.01  -0.01   0.00    -0.02   0.04  -0.04     0.00  -0.01   0.00
    29   6    -0.01   0.00   0.02     0.07   0.04  -0.03    -0.01   0.01   0.01
    30   6     0.02   0.03   0.04     0.09  -0.01  -0.00     0.05   0.06   0.07
    31   6    -0.01  -0.03  -0.02     0.01   0.04  -0.04    -0.01  -0.02  -0.01
    32   6     0.00   0.01  -0.01    -0.04  -0.02   0.03    -0.01  -0.01  -0.02
    33   6    -0.02   0.00  -0.01     0.06  -0.05   0.04     0.05   0.06   0.07
    34   6    -0.01  -0.02   0.01     0.00   0.02  -0.02     0.00  -0.01   0.01
    35   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    36   6     0.02  -0.02   0.02    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    37   6    -0.01   0.04  -0.04     0.00   0.03  -0.01     0.00  -0.01   0.01
    38   6     0.03  -0.00  -0.00    -0.13   0.00  -0.04     0.01  -0.00   0.00
    39   6     0.01  -0.01  -0.01    -0.09   0.02  -0.04     0.01  -0.01  -0.00
    40   6     0.00  -0.00  -0.01     0.01  -0.06   0.07     0.00   0.00  -0.01
    41   6    -0.01  -0.02   0.00     0.12   0.08  -0.03    -0.01  -0.01  -0.00
    42   6    -0.02   0.00   0.00     0.14   0.02   0.05    -0.01  -0.01  -0.01
    43   6     0.01  -0.01   0.01    -0.03   0.06  -0.06     0.00  -0.01   0.00
    44   6     0.01   0.02   0.00    -0.07  -0.05   0.05     0.01  -0.01  -0.02
    45   6     0.01   0.01  -0.01    -0.12  -0.08   0.04     0.01   0.00  -0.01
    46   6     0.02   0.01   0.00    -0.12   0.05   0.04     0.00  -0.01  -0.02
    47   6     0.03   0.00   0.00    -0.10   0.01   0.03    -0.03  -0.04  -0.05
    48   6     0.00  -0.01   0.02     0.03   0.05  -0.07    -0.01  -0.02  -0.01
    49   6    -0.01   0.02   0.00     0.07  -0.12   0.02    -0.04  -0.02  -0.04
    50   6    -0.03  -0.00  -0.00     0.11  -0.08  -0.06    -0.04  -0.03  -0.03
    51   6     0.00   0.01  -0.00    -0.05  -0.04   0.06    -0.01  -0.01  -0.02
    52   6    -0.01  -0.02  -0.02    -0.05   0.07  -0.06    -0.03  -0.05  -0.04
    53   6     0.02  -0.03   0.00    -0.08   0.11  -0.05    -0.00  -0.02  -0.01
    54   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.00   0.00  -0.00
    55   6     0.01  -0.02   0.02    -0.01  -0.01   0.01    -0.00   0.01  -0.01
    56   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    57   6    -0.00  -0.03   0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    58   6    -0.01   0.00  -0.01     0.02  -0.01   0.00    -0.00   0.00  -0.00
    59   6     0.01   0.00  -0.02    -0.00   0.00   0.01    -0.00   0.00  -0.00
    60   6     0.01   0.02  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
    61   6    -0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    62   1    -0.02  -0.01   0.40     0.01   0.01   0.07    -0.01   0.01  -0.02
    63   1     0.02   0.01  -0.28    -0.05  -0.05  -0.03     0.01   0.00   0.01
    64   1     0.01  -0.00   0.01    -0.01   0.05   0.03     0.01  -0.00  -0.01
    65   1    -0.01   0.02  -0.24     0.01  -0.01  -0.05     0.00   0.00   0.00
    66   1     0.01   0.00   0.04    -0.03  -0.03  -0.03    -0.00   0.00  -0.00
    67   1     0.01  -0.02   0.09    -0.03   0.06   0.00     0.00  -0.01   0.00
    68   1    -0.00   0.00   0.06    -0.01  -0.06   0.01     0.00   0.00  -0.00
    69   1     0.01  -0.00   0.26     0.02  -0.05   0.04    -0.00   0.00  -0.01
    70   1    -0.00   0.01   0.01     0.02   0.02  -0.00    -0.00  -0.00  -0.00
    71   1    -0.00   0.01  -0.35     0.05   0.04  -0.07    -0.00  -0.00   0.01
    72   1     0.00   0.06   0.07    -0.11  -0.06  -0.05    -0.00   0.04   0.04
    73   1    -0.03   0.06   0.10     0.01   0.10  -0.18    -0.01   0.04   0.06
    74   1    -0.01   0.08   0.07    -0.01  -0.11   0.02    -0.01   0.05   0.04
    75   1    -0.02   0.01   0.05     0.05   0.14  -0.15    -0.01   0.01   0.03
    76   1    -0.02   0.02  -0.01     0.15  -0.13   0.09    -0.02   0.04   0.02
    77   1     0.02  -0.03  -0.02    -0.04  -0.04  -0.13    -0.02   0.06   0.07
    78   1    -0.00  -0.01  -0.05     0.11  -0.19   0.06    -0.03   0.08   0.06
    79   1     0.03  -0.03  -0.04    -0.10  -0.11  -0.03    -0.01   0.06   0.06
    80   1    -0.05  -0.06  -0.06    -0.05   0.12   0.09     0.17   0.16   0.21
    81   1    -0.05  -0.06  -0.11     0.01  -0.05   0.22     0.21   0.24   0.26
    82   1    -0.06  -0.07  -0.05     0.06   0.13   0.02     0.19   0.21   0.26
    83   1    -0.02  -0.01  -0.04     0.02  -0.12   0.17     0.09   0.11   0.10
    84   1    -0.02   0.01   0.03     0.19   0.07  -0.09     0.08   0.09   0.13
    85   1     0.07   0.05   0.07     0.01   0.09   0.16     0.21   0.21   0.25
    86   1     0.04   0.06   0.10     0.20   0.15  -0.03     0.20   0.22   0.29
    87   1     0.08   0.03   0.09    -0.02   0.16   0.06     0.17   0.16   0.21
    88   1    -0.01   0.10  -0.10    -0.03   0.05  -0.05     0.01  -0.03   0.02
    89   1    -0.04   0.09  -0.10    -0.02   0.09  -0.04     0.01  -0.04   0.03
    90   1    -0.02   0.10  -0.08    -0.03   0.07  -0.07     0.01  -0.03   0.03
    91   1    -0.01   0.01  -0.02    -0.00   0.05  -0.01     0.00  -0.02   0.01
    92   1     0.01  -0.03   0.03     0.00   0.02  -0.04     0.00  -0.01   0.01
    93   1     0.03  -0.09   0.05    -0.03   0.07  -0.04     0.01  -0.03   0.02
    94   1     0.03  -0.09   0.09    -0.01   0.05  -0.07     0.01  -0.03   0.02
    95   1     0.02  -0.09   0.06    -0.03   0.04  -0.04     0.01  -0.02   0.02
    96  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                    103                    104                    105
                      A                      A                      A
 Frequencies --    765.6500               765.9888               771.2653
 Red. masses --      1.5322                 1.5459                 5.7157
 Frc consts  --      0.5292                 0.5344                 2.0032
 IR Inten    --     76.9857                50.6536                 3.3122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.01  -0.01
     4   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.01   0.00   0.01
     5   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01   0.01
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.01  -0.01
    11   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.02   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    14   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.02   0.00
    16   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.02  -0.03  -0.01
    17   6    -0.00   0.00  -0.01     0.00   0.00   0.00    -0.05   0.04   0.01
    18   7    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.05   0.08   0.00
    19   6     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.13   0.00
    20   6     0.00   0.00   0.01     0.00  -0.00  -0.00    -0.02  -0.04  -0.00
    21   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00   0.02   0.01
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02   0.04  -0.00
    23   7    -0.00   0.00  -0.00     0.01   0.00   0.01    -0.01   0.01   0.00
    24   7    -0.00  -0.01  -0.01     0.02  -0.03  -0.04     0.01   0.00   0.00
    25   7     0.01  -0.04   0.04    -0.00   0.00  -0.00     0.06   0.02   0.00
    26   6    -0.01   0.01   0.01    -0.02   0.07   0.08     0.02   0.00  -0.00
    27   6     0.00  -0.00  -0.01     0.00  -0.02  -0.01     0.01  -0.01   0.01
    28   6     0.00  -0.00   0.00     0.00  -0.01  -0.02    -0.00   0.01  -0.01
    29   6    -0.01   0.01   0.01    -0.01   0.07   0.07     0.02   0.01  -0.01
    30   6    -0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.04   0.03   0.01
    31   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.02
    32   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.01   0.02  -0.02
    33   6    -0.00   0.01   0.00    -0.01  -0.02  -0.01    -0.03   0.03  -0.01
    34   6    -0.03   0.08  -0.07     0.01  -0.01   0.01     0.14   0.03  -0.03
    35   6     0.00  -0.02   0.02    -0.00   0.00  -0.00     0.04  -0.05  -0.06
    36   6     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.01   0.06   0.07
    37   6    -0.03   0.08  -0.07     0.00  -0.01   0.01     0.12   0.06   0.03
    38   6     0.01  -0.00   0.00    -0.01  -0.01  -0.02    -0.03   0.00  -0.01
    39   6     0.01  -0.01  -0.00     0.01  -0.04  -0.05    -0.02   0.01  -0.01
    40   6     0.00   0.00  -0.01     0.01  -0.02  -0.01     0.00  -0.02   0.02
    41   6    -0.01  -0.01  -0.00     0.02  -0.03  -0.04     0.03   0.02  -0.01
    42   6    -0.01  -0.01  -0.01     0.03  -0.04  -0.04     0.03   0.01   0.01
    43   6     0.00  -0.01   0.00     0.00  -0.01  -0.02    -0.01   0.02  -0.02
    44   6     0.01  -0.00  -0.01     0.01  -0.05  -0.05    -0.02  -0.02   0.02
    45   6     0.01   0.00  -0.00    -0.01  -0.02  -0.01    -0.02  -0.02   0.01
    46   6     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.05  -0.02  -0.03
    47   6     0.00  -0.00  -0.01    -0.00   0.01   0.01     0.05  -0.01  -0.03
    48   6    -0.00  -0.00   0.00     0.01   0.01  -0.00    -0.02  -0.03   0.04
    49   6    -0.01   0.01  -0.00     0.01  -0.00   0.01    -0.04   0.05  -0.01
    50   6    -0.01   0.00   0.00     0.02  -0.00   0.00    -0.05   0.04   0.01
    51   6     0.00   0.00  -0.01    -0.00  -0.00   0.01     0.03   0.02  -0.04
    52   6     0.00  -0.01   0.00     0.00   0.02   0.00     0.02  -0.06   0.03
    53   6     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.02  -0.05   0.02
    54   6     0.00  -0.02   0.01    -0.00   0.00  -0.00    -0.16   0.02   0.07
    55   6     0.02  -0.05   0.04    -0.00   0.01  -0.00    -0.17   0.03   0.09
    56   6     0.01  -0.02   0.01    -0.00   0.00  -0.00     0.01  -0.11  -0.14
    57   6     0.01  -0.05   0.03     0.00   0.01  -0.00     0.17   0.09   0.04
    58   6     0.02  -0.04   0.03     0.00   0.01  -0.00     0.19   0.04  -0.03
    59   6     0.01  -0.02   0.01    -0.00   0.00   0.00    -0.07   0.09   0.13
    60   6     0.02  -0.05   0.04    -0.00   0.00  -0.01    -0.11  -0.13  -0.10
    61   6     0.00  -0.01   0.01    -0.00  -0.00  -0.00    -0.12  -0.11  -0.09
    62   1     0.00  -0.00  -0.02     0.00   0.00   0.00     0.04  -0.05   0.02
    63   1     0.00   0.00   0.01    -0.01  -0.01   0.00     0.02   0.02  -0.02
    64   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02  -0.01
    65   1     0.00   0.00   0.01     0.01   0.00  -0.01    -0.04  -0.02  -0.01
    66   1     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.01   0.00
    67   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.01   0.01
    68   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.02   0.00
    69   1     0.01   0.00  -0.01     0.00  -0.01   0.00    -0.03  -0.13  -0.00
    70   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.02   0.01  -0.02
    71   1    -0.01  -0.00   0.02     0.00   0.00  -0.01    -0.02   0.05  -0.01
    72   1    -0.00   0.03   0.03    -0.08   0.19   0.20    -0.02  -0.01  -0.01
    73   1    -0.01   0.03   0.05    -0.09   0.28   0.26    -0.00   0.03  -0.04
    74   1    -0.01   0.04   0.03    -0.08   0.25   0.26    -0.00  -0.02   0.01
    75   1    -0.01   0.01   0.02    -0.03   0.13   0.10     0.01   0.04  -0.03
    76   1    -0.01   0.02   0.01    -0.03   0.11   0.13     0.03  -0.03   0.03
    77   1    -0.01   0.04   0.05    -0.10   0.27   0.28    -0.01   0.01  -0.03
    78   1    -0.02   0.05   0.04    -0.09   0.28   0.32     0.02  -0.04   0.02
    79   1    -0.00   0.04   0.03    -0.09   0.22   0.24    -0.01  -0.01  -0.01
    80   1     0.02   0.00   0.01    -0.04  -0.03  -0.04     0.03  -0.03  -0.01
    81   1     0.02   0.02   0.00    -0.05  -0.06  -0.04     0.03   0.05  -0.08
    82   1     0.01   0.01   0.02    -0.04  -0.04  -0.06    -0.02  -0.04   0.03
    83   1     0.01   0.02  -0.00    -0.02  -0.03  -0.01     0.01   0.07  -0.07
    84   1    -0.01   0.00   0.02    -0.00  -0.02  -0.03    -0.07  -0.02   0.07
    85   1     0.02   0.01   0.01    -0.04  -0.04  -0.04     0.03   0.02  -0.04
    86   1     0.00   0.01   0.03    -0.03  -0.04  -0.07    -0.05  -0.04   0.08
    87   1     0.01   0.00   0.01    -0.04  -0.02  -0.04     0.03  -0.02   0.00
    88   1    -0.08   0.24  -0.20     0.01  -0.03   0.02    -0.10  -0.07   0.02
    89   1    -0.10   0.32  -0.26     0.01  -0.03   0.03    -0.04   0.16   0.27
    90   1    -0.09   0.31  -0.25     0.01  -0.03   0.02     0.01  -0.12  -0.12
    91   1    -0.04   0.14  -0.11     0.01  -0.01   0.02     0.05   0.20   0.22
    92   1    -0.04   0.13  -0.10     0.01  -0.02   0.01     0.18  -0.13  -0.20
    93   1    -0.10   0.29  -0.24     0.01  -0.03   0.03    -0.07   0.09   0.12
    94   1    -0.10   0.31  -0.25     0.01  -0.04   0.02     0.10  -0.15  -0.26
    95   1    -0.07   0.23  -0.20     0.01  -0.03   0.02    -0.12  -0.02  -0.03
    96  17     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --    780.5827               789.0002               789.1885
 Red. masses --      6.1217                 2.7965                 2.7962
 Frc consts  --      2.1977                 1.0257                 1.0261
 IR Inten    --      0.6772                 2.5823                 0.8630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.01
     2   6     0.04   0.08   0.01     0.00   0.00   0.01     0.00   0.00   0.00
     3   6     0.04   0.10   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     4   6     0.04  -0.05   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.02
     5   6    -0.09  -0.07  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.06  -0.07   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
     7   6     0.00   0.11   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.06  -0.02   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
     9   6    -0.04  -0.01  -0.00    -0.00   0.00  -0.02    -0.00  -0.00   0.03
    10   6     0.03  -0.01  -0.00    -0.00  -0.00   0.02     0.00   0.00  -0.03
    11   6     0.01   0.09   0.01    -0.00   0.00   0.00     0.00   0.00   0.01
    12   6     0.06   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.04  -0.08  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    14   6     0.05  -0.10  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    15   7    -0.01   0.01   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    16   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.02
    17   6    -0.03   0.03   0.00     0.00  -0.00   0.02     0.00  -0.00  -0.02
    18   7    -0.00   0.09   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
    19   6     0.03  -0.07  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.02  -0.03  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
    21   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    22   6    -0.03   0.02  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   7     0.01  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   7    -0.01  -0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.10  -0.03  -0.01     0.00  -0.01  -0.01     0.03  -0.07  -0.07
    27   6    -0.06   0.03  -0.04    -0.01   0.02   0.02    -0.04   0.13   0.14
    28   6    -0.02  -0.06   0.04     0.01  -0.02  -0.02     0.05  -0.13  -0.14
    29   6    -0.09  -0.04   0.01    -0.00   0.01   0.01    -0.02   0.07   0.07
    30   6     0.07  -0.06  -0.01    -0.06  -0.07  -0.08     0.00   0.00   0.00
    31   6     0.06   0.00  -0.05     0.11   0.12   0.15    -0.00  -0.00  -0.00
    32   6     0.00  -0.05   0.04    -0.11  -0.12  -0.15     0.00   0.00   0.00
    33   6     0.06  -0.06   0.01     0.06   0.07   0.08    -0.00  -0.00  -0.00
    34   6     0.03   0.01  -0.01     0.01  -0.02   0.01    -0.01   0.04  -0.03
    35   6     0.02  -0.01  -0.01    -0.01   0.03  -0.03     0.02  -0.08   0.07
    36   6     0.01   0.02   0.02     0.01  -0.03   0.03    -0.03   0.08  -0.07
    37   6     0.04   0.01   0.00    -0.01   0.02  -0.01     0.01  -0.05   0.04
    38   6     0.07  -0.04   0.05    -0.00   0.00   0.00    -0.02   0.03   0.03
    39   6     0.14  -0.04   0.07     0.00  -0.00  -0.00     0.00  -0.03  -0.03
    40   6     0.00   0.10  -0.10    -0.00   0.01   0.01    -0.02   0.06   0.06
    41   6    -0.11  -0.04   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    42   6    -0.11  -0.04  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.01
    43   6     0.06  -0.08   0.10     0.00  -0.01  -0.01     0.02  -0.06  -0.06
    44   6     0.09   0.12  -0.07    -0.00   0.00   0.00    -0.01   0.02   0.02
    45   6     0.03   0.07  -0.05     0.00  -0.01  -0.01     0.00  -0.03  -0.03
    46   6    -0.07  -0.00   0.05     0.03   0.02   0.03    -0.00   0.00  -0.00
    47   6    -0.13   0.02   0.07    -0.02  -0.02  -0.03     0.00   0.00   0.00
    48   6     0.03   0.08  -0.10     0.05   0.06   0.06    -0.00  -0.00  -0.00
    49   6     0.08  -0.08   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    50   6     0.08  -0.07  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    51   6    -0.08  -0.04   0.10    -0.05  -0.06  -0.06    -0.00   0.00   0.00
    52   6    -0.04   0.13  -0.07     0.02   0.02   0.03    -0.00   0.00  -0.00
    53   6     0.00   0.07  -0.05    -0.02  -0.03  -0.03     0.00  -0.00  -0.00
    54   6    -0.02   0.01   0.02    -0.00   0.01  -0.01     0.01  -0.02   0.01
    55   6    -0.06   0.01   0.03     0.00  -0.01   0.00    -0.00   0.02  -0.01
    56   6    -0.00  -0.04  -0.05    -0.00   0.01  -0.01     0.01  -0.04   0.03
    57   6     0.04   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    58   6     0.04   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    59   6    -0.02   0.02   0.04     0.00  -0.01   0.01    -0.01   0.04  -0.03
    60   6    -0.03  -0.04  -0.03    -0.00   0.01  -0.00     0.01  -0.01   0.01
    61   6    -0.02  -0.03  -0.02     0.00  -0.01   0.01    -0.00   0.02  -0.01
    62   1     0.06   0.01   0.01     0.00   0.01  -0.05    -0.00  -0.00   0.02
    63   1    -0.12   0.03  -0.01    -0.00  -0.00   0.04     0.00   0.00  -0.04
    64   1     0.05  -0.09  -0.00    -0.00  -0.01   0.06     0.00   0.00  -0.02
    65   1    -0.03   0.04  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.05
    66   1    -0.06  -0.06  -0.00    -0.00  -0.00  -0.00     0.00  -0.01   0.07
    67   1     0.11  -0.05  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.04
    68   1    -0.02   0.05   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    69   1     0.02  -0.08   0.00     0.00  -0.00   0.03    -0.00   0.00  -0.04
    70   1     0.07   0.03   0.01     0.00   0.00   0.02     0.00  -0.00  -0.03
    71   1    -0.03   0.02   0.00     0.00   0.00  -0.03    -0.00  -0.00   0.05
    72   1     0.02   0.05   0.00    -0.01   0.02   0.02    -0.04   0.11   0.12
    73   1     0.05  -0.13   0.18     0.01  -0.02  -0.02     0.04  -0.12  -0.13
    74   1    -0.04   0.10  -0.09     0.01  -0.03  -0.03     0.06  -0.19  -0.20
    75   1    -0.02  -0.15   0.12     0.01  -0.05  -0.04     0.10  -0.29  -0.29
    76   1    -0.10   0.11  -0.12    -0.02   0.05   0.05    -0.09   0.29   0.29
    77   1     0.03  -0.13   0.09    -0.01   0.03   0.04    -0.07   0.19   0.20
    78   1    -0.03   0.13  -0.20    -0.01   0.03   0.02    -0.05   0.13   0.14
    79   1     0.03  -0.05  -0.00     0.00  -0.02  -0.01     0.03  -0.10  -0.11
    80   1     0.00   0.05   0.00     0.10   0.09   0.12    -0.00  -0.00  -0.00
    81   1    -0.07  -0.08   0.18    -0.10  -0.12  -0.14     0.00   0.00   0.00
    82   1     0.07   0.08  -0.08    -0.15  -0.18  -0.21     0.00   0.00   0.01
    83   1    -0.02  -0.12   0.13    -0.24  -0.26  -0.30     0.01   0.01   0.01
    84   1     0.11   0.04  -0.13     0.24   0.26   0.30    -0.00  -0.00  -0.01
    85   1    -0.06  -0.09   0.09     0.16   0.17   0.21    -0.00  -0.00  -0.00
    86   1     0.06   0.09  -0.19     0.10   0.11   0.13    -0.00   0.00  -0.00
    87   1    -0.04  -0.02   0.01    -0.09  -0.10  -0.12     0.00   0.00   0.01
    88   1     0.01  -0.02  -0.01    -0.01   0.03  -0.02     0.02  -0.06   0.06
    89   1    -0.02   0.04   0.07     0.01  -0.03   0.02    -0.02   0.07  -0.06
    90   1     0.02  -0.03  -0.05     0.01  -0.05   0.04    -0.03   0.12  -0.09
    91   1     0.01   0.05   0.05     0.02  -0.07   0.05    -0.05   0.18  -0.14
    92   1     0.04  -0.04  -0.05    -0.02   0.07  -0.05     0.05  -0.17   0.14
    93   1    -0.01   0.04   0.03    -0.02   0.04  -0.04     0.04  -0.11   0.10
    94   1     0.02  -0.04  -0.08    -0.01   0.03  -0.02     0.02  -0.07   0.06
    95   1    -0.02   0.01  -0.01     0.01  -0.03   0.02    -0.02   0.07  -0.05
    96  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --    789.2652               796.5461               810.7555
 Red. masses --      2.7843                 5.2006                 5.6818
 Frc consts  --      1.0219                 1.9441                 2.2005
 IR Inten    --     13.3222                 0.7843                28.5239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01   0.06     0.06  -0.06  -0.00
     2   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.04  -0.08  -0.01
     3   6     0.00   0.00   0.01    -0.01  -0.01   0.10     0.00  -0.06  -0.00
     4   6     0.00   0.00  -0.01     0.00   0.01  -0.15    -0.08   0.01   0.01
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.01    -0.03  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.01   0.00  -0.07     0.04   0.05   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.01  -0.08     0.05   0.01   0.00
     8   6     0.00  -0.00   0.01    -0.00  -0.01   0.12    -0.07   0.02  -0.01
     9   6     0.00   0.00  -0.01     0.00   0.01  -0.30    -0.12  -0.01   0.01
    10   6     0.00  -0.00   0.01    -0.01  -0.02   0.32    -0.08   0.03  -0.01
    11   6    -0.00   0.00   0.01    -0.00   0.01  -0.01     0.11   0.02   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.07   0.04  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00   0.03     0.02  -0.01   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.03   0.04   0.01
    15   7     0.00   0.00   0.00    -0.01  -0.01   0.12    -0.18  -0.15  -0.02
    16   6     0.00   0.00   0.01     0.00   0.00  -0.17    -0.06  -0.11  -0.01
    17   6    -0.00  -0.00  -0.01     0.00  -0.01   0.19     0.05   0.14  -0.00
    18   7     0.00  -0.00   0.00     0.00   0.01  -0.15    -0.06   0.13   0.01
    19   6    -0.00   0.00  -0.00     0.00  -0.01   0.02     0.07  -0.19  -0.00
    20   6    -0.00   0.00  -0.01    -0.00   0.00  -0.06     0.07  -0.06   0.00
    21   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.04     0.05   0.01  -0.00
    22   6    -0.00  -0.01   0.01     0.00   0.01  -0.01     0.19   0.21   0.03
    23   7     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.03  -0.03   0.01
    24   7     0.00  -0.00  -0.00     0.00   0.01   0.00     0.03   0.02  -0.02
    25   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.03
    26   6     0.01  -0.04  -0.04    -0.00  -0.01  -0.01    -0.03  -0.01  -0.00
    27   6    -0.02   0.07   0.08    -0.01   0.02   0.02    -0.04   0.01  -0.01
    28   6     0.02  -0.07  -0.08     0.01  -0.02  -0.02    -0.02  -0.02   0.01
    29   6    -0.01   0.04   0.04    -0.01   0.01   0.01    -0.02  -0.01   0.01
    30   6     0.02   0.02   0.02     0.00   0.02   0.01    -0.02   0.02   0.00
    31   6    -0.03  -0.03  -0.04    -0.03  -0.01  -0.02    -0.04   0.01   0.02
    32   6     0.03   0.03   0.04     0.02   0.01   0.02    -0.01   0.03  -0.01
    33   6    -0.01  -0.02  -0.02    -0.01  -0.00  -0.01    -0.02   0.02  -0.01
    34   6     0.03  -0.08   0.06    -0.00   0.01  -0.01    -0.02  -0.01   0.01
    35   6    -0.04   0.14  -0.12     0.01  -0.03   0.02    -0.02   0.01   0.00
    36   6     0.05  -0.14   0.12    -0.00   0.03  -0.02    -0.03  -0.03  -0.01
    37   6    -0.02   0.08  -0.06     0.01  -0.01   0.01    -0.03  -0.01   0.00
    38   6    -0.01   0.01   0.02     0.00   0.00   0.01    -0.00  -0.02   0.02
    39   6     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.05  -0.01   0.03
    40   6    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.04  -0.03
    41   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    42   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.01
    43   6     0.01  -0.03  -0.03     0.01  -0.02  -0.00     0.03  -0.04   0.05
    44   6    -0.01   0.01   0.01     0.00   0.01  -0.00     0.04   0.05  -0.03
    45   6     0.00  -0.02  -0.02    -0.00  -0.01  -0.01    -0.04   0.01  -0.02
    46   6    -0.01  -0.01  -0.01     0.00  -0.01  -0.01     0.00   0.02  -0.02
    47   6     0.00   0.01   0.01     0.00   0.00  -0.00     0.06  -0.01  -0.03
    48   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.01    -0.01  -0.04   0.04
    49   6     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.03   0.02   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01    -0.02   0.03  -0.01
    51   6     0.01   0.01   0.02     0.02   0.01  -0.00     0.04   0.02  -0.05
    52   6    -0.01  -0.00  -0.01     0.00  -0.01   0.00     0.02  -0.06   0.04
    53   6     0.00   0.01   0.01    -0.01   0.01   0.01    -0.04   0.00   0.02
    54   6    -0.02   0.03  -0.03     0.01  -0.00   0.01    -0.03  -0.02  -0.02
    55   6     0.00  -0.03   0.02    -0.00   0.00   0.00     0.06  -0.01  -0.03
    56   6    -0.02   0.07  -0.06     0.00  -0.02   0.00    -0.00   0.05   0.05
    57   6     0.01   0.00   0.01     0.00   0.00  -0.00    -0.03   0.00   0.01
    58   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.04  -0.00   0.00
    59   6     0.02  -0.07   0.05    -0.00   0.01  -0.01     0.02  -0.02  -0.02
    60   6    -0.01   0.02  -0.02     0.00  -0.00   0.00     0.02   0.03   0.02
    61   6     0.00  -0.03   0.03    -0.01   0.01  -0.01     0.00   0.01   0.02
    62   1     0.00  -0.00  -0.01     0.00   0.01  -0.22     0.03  -0.04   0.03
    63   1    -0.00   0.00   0.01    -0.00  -0.02   0.42     0.00  -0.12  -0.00
    64   1     0.00  -0.00  -0.00    -0.01  -0.02   0.25     0.00   0.06   0.03
    65   1    -0.00   0.00  -0.01     0.00  -0.01   0.16     0.13   0.04  -0.04
    66   1     0.00  -0.00   0.02    -0.00   0.02  -0.18     0.02  -0.01  -0.02
    67   1     0.00  -0.00   0.00     0.01   0.02  -0.23     0.00   0.09  -0.02
    68   1     0.00   0.01  -0.00    -0.01  -0.01   0.11    -0.17  -0.24   0.01
    69   1    -0.00   0.00   0.01     0.00  -0.02   0.26     0.19  -0.22  -0.04
    70   1    -0.00   0.00   0.03    -0.00   0.01   0.13     0.16   0.04  -0.05
    71   1    -0.01  -0.01  -0.03     0.01   0.01  -0.26     0.44   0.19  -0.08
    72   1    -0.02   0.05   0.06     0.00   0.01   0.01    -0.03   0.02  -0.01
    73   1     0.02  -0.07  -0.07     0.01  -0.03  -0.02     0.03  -0.04   0.05
    74   1     0.03  -0.10  -0.11     0.01  -0.03  -0.04    -0.02   0.03  -0.04
    75   1     0.05  -0.15  -0.15     0.01  -0.04  -0.03     0.00  -0.06   0.03
    76   1    -0.05   0.15   0.15    -0.01   0.04   0.03    -0.02   0.04  -0.02
    77   1    -0.04   0.10   0.11    -0.01   0.03   0.05    -0.01  -0.06   0.06
    78   1    -0.03   0.07   0.08    -0.01   0.04   0.03     0.01   0.05  -0.06
    79   1     0.01  -0.05  -0.05    -0.01  -0.01   0.00    -0.04  -0.06   0.02
    80   1    -0.02  -0.02  -0.03     0.01  -0.01  -0.01    -0.04  -0.00   0.02
    81   1     0.03   0.03   0.04     0.03   0.04   0.03     0.04   0.02  -0.06
    82   1     0.04   0.04   0.05     0.03   0.03   0.04    -0.04  -0.02   0.05
    83   1     0.06   0.06   0.07     0.03   0.04   0.02     0.02   0.05  -0.04
    84   1    -0.06  -0.06  -0.07    -0.03  -0.04  -0.03    -0.04  -0.02   0.03
    85   1    -0.04  -0.04  -0.05    -0.03  -0.02  -0.05     0.01   0.06  -0.06
    86   1    -0.03  -0.03  -0.03    -0.03  -0.04  -0.03    -0.01  -0.05   0.07
    87   1     0.02   0.02   0.03    -0.01   0.02  -0.01    -0.01   0.07  -0.03
    88   1    -0.04   0.11  -0.10     0.01  -0.01   0.00    -0.06  -0.00   0.05
    89   1     0.04  -0.14   0.12    -0.01   0.04  -0.03     0.05  -0.05  -0.03
    90   1     0.06  -0.21   0.17    -0.01   0.04  -0.04    -0.04   0.02   0.07
    91   1     0.10  -0.32   0.25    -0.02   0.05  -0.03     0.01  -0.03  -0.03
    92   1    -0.09   0.31  -0.25     0.02  -0.05   0.03    -0.03   0.04   0.04
    93   1    -0.07   0.21  -0.18     0.02  -0.05   0.04     0.00  -0.01  -0.03
    94   1    -0.04   0.14  -0.12     0.02  -0.05   0.04    -0.01   0.04   0.04
    95   1     0.03  -0.12   0.10    -0.00  -0.00  -0.00     0.00  -0.02  -0.00
    96  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --    858.5220               861.4093               862.6515
 Red. masses --      3.3150                 1.5744                 1.5074
 Frc consts  --      1.4396                 0.6883                 0.6609
 IR Inten    --      1.2518                 4.8346                22.1907
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.03    -0.02   0.02   0.05     0.01  -0.01   0.01
     2   6    -0.02  -0.07  -0.02     0.00   0.02  -0.01    -0.01  -0.01  -0.01
     3   6    -0.04  -0.03  -0.01     0.00   0.02  -0.01    -0.01  -0.00   0.00
     4   6    -0.05  -0.01   0.05     0.01  -0.00   0.06    -0.01  -0.00   0.02
     5   6    -0.05   0.00  -0.05     0.02  -0.00  -0.06    -0.01   0.00  -0.02
     6   6     0.03   0.10  -0.06    -0.00  -0.02  -0.07     0.01   0.02  -0.02
     7   6    -0.03   0.06   0.00     0.01  -0.01  -0.01     0.00   0.01  -0.01
     8   6    -0.04   0.03  -0.04     0.01  -0.01   0.02    -0.01  -0.00   0.04
     9   6     0.04  -0.02   0.04    -0.01   0.01   0.01     0.00  -0.00  -0.02
    10   6     0.04   0.02  -0.04    -0.01   0.00  -0.03     0.01   0.00  -0.02
    11   6    -0.01   0.08   0.02     0.00  -0.02   0.01     0.01   0.01   0.01
    12   6     0.11   0.04  -0.03    -0.03  -0.01   0.01     0.01   0.00   0.03
    13   6    -0.01  -0.12   0.05     0.00   0.03  -0.03    -0.00  -0.00  -0.06
    14   6    -0.05   0.00   0.05     0.01  -0.00  -0.03    -0.01   0.01  -0.05
    15   7     0.08   0.02  -0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   6     0.04   0.03   0.00    -0.01  -0.01  -0.03     0.00   0.00   0.05
    17   6     0.01  -0.05  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    18   7     0.05  -0.03   0.01    -0.01   0.01   0.00     0.01  -0.00   0.01
    19   6    -0.03   0.05   0.01     0.01  -0.01   0.04    -0.01   0.00  -0.05
    20   6    -0.04   0.03   0.01     0.01  -0.00   0.05    -0.00  -0.00  -0.07
    21   6    -0.02  -0.00  -0.01     0.00   0.00  -0.04    -0.00  -0.00   0.05
    22   6    -0.05  -0.07  -0.01     0.01   0.01   0.02     0.00  -0.00  -0.02
    23   7     0.04  -0.08   0.02    -0.04  -0.02   0.00     0.00  -0.02   0.00
    24   7     0.07   0.06  -0.02    -0.02  -0.02   0.00     0.01  -0.02  -0.00
    25   7    -0.02  -0.00   0.01     0.01  -0.02  -0.01    -0.02   0.03   0.01
    26   6    -0.00  -0.00  -0.02    -0.00   0.01   0.01    -0.01   0.02   0.02
    27   6    -0.05   0.00  -0.01     0.01  -0.01  -0.00     0.01  -0.02  -0.02
    28   6    -0.02  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00   0.01
    29   6    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6     0.00   0.00   0.02     0.02   0.02   0.02     0.01   0.00   0.01
    31   6    -0.05   0.01   0.01    -0.02  -0.02  -0.02    -0.01  -0.00  -0.00
    32   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    33   6     0.00   0.01   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    34   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    35   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    36   6     0.01   0.01   0.00    -0.00  -0.02   0.01     0.00   0.03  -0.01
    37   6     0.00   0.00   0.00    -0.00   0.01  -0.01     0.01  -0.02   0.02
    38   6    -0.02  -0.02  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    39   6     0.04  -0.01   0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    40   6     0.00   0.03  -0.02    -0.00  -0.01   0.00     0.00   0.01  -0.02
    41   6    -0.03  -0.00   0.02     0.01   0.00  -0.00    -0.00   0.01  -0.00
    42   6    -0.02  -0.01   0.03     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    43   6     0.03  -0.04   0.06    -0.01   0.01  -0.02     0.00  -0.00  -0.01
    44   6     0.04   0.04  -0.04    -0.01  -0.00   0.01    -0.00   0.02   0.02
    45   6    -0.07  -0.02  -0.03     0.02   0.01   0.01    -0.00   0.02   0.02
    46   6    -0.00   0.03   0.00     0.02  -0.02   0.01     0.00   0.00   0.00
    47   6     0.04  -0.00  -0.01    -0.01   0.01   0.01     0.01   0.00   0.00
    48   6    -0.01  -0.02   0.01     0.00   0.01  -0.03    -0.00  -0.00  -0.00
    49   6    -0.03   0.01  -0.02     0.00  -0.00  -0.01    -0.01   0.00  -0.01
    50   6    -0.02   0.01  -0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.02
    51   6     0.04   0.02  -0.06    -0.01  -0.00  -0.01     0.01   0.00  -0.01
    52   6     0.02  -0.04   0.04     0.02   0.02   0.02     0.01  -0.00   0.01
    53   6    -0.05   0.05   0.03     0.02   0.03   0.03    -0.00   0.02   0.01
    54   6     0.01   0.01   0.00    -0.02   0.01  -0.02     0.03  -0.02   0.03
    55   6    -0.01   0.00   0.01     0.00   0.01  -0.02    -0.00  -0.02   0.02
    56   6    -0.00  -0.01  -0.01     0.00   0.01   0.02    -0.00  -0.00  -0.02
    57   6     0.01   0.00  -0.00     0.01  -0.02   0.03    -0.01   0.03  -0.04
    58   6     0.01   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.01  -0.02
    59   6    -0.00   0.00   0.01    -0.00   0.00   0.01     0.00  -0.00  -0.02
    60   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.01
    61   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01   0.01
    62   1    -0.05   0.01   0.10     0.01   0.01   0.04    -0.01   0.01   0.03
    63   1    -0.02  -0.13   0.26     0.00   0.00   0.34    -0.00  -0.02   0.10
    64   1    -0.05   0.07   0.43     0.00  -0.06   0.50    -0.01   0.00   0.16
    65   1    -0.08   0.00  -0.07     0.02   0.01  -0.04     0.00   0.01  -0.05
    66   1    -0.08  -0.07  -0.39     0.01   0.00   0.22    -0.01  -0.04   0.40
    67   1     0.03   0.11  -0.27    -0.01  -0.04   0.16    -0.00  -0.01   0.30
    68   1     0.11   0.02   0.04    -0.02  -0.00   0.04     0.01   0.00  -0.10
    69   1    -0.06   0.07  -0.05     0.02  -0.00  -0.25    -0.02  -0.01   0.34
    70   1    -0.07   0.00  -0.05     0.02   0.01  -0.30    -0.02  -0.01   0.42
    71   1    -0.14  -0.06   0.06     0.02   0.01  -0.08     0.00  -0.00   0.07
    72   1    -0.06   0.06   0.03     0.01  -0.01  -0.00    -0.02  -0.01  -0.02
    73   1     0.02   0.03   0.07    -0.01   0.00  -0.01     0.00   0.00   0.01
    74   1     0.00  -0.00  -0.04    -0.00   0.01   0.01    -0.02   0.02   0.00
    75   1     0.01  -0.10  -0.03    -0.00   0.02  -0.00    -0.00   0.01   0.00
    76   1     0.01  -0.05  -0.09    -0.02   0.06   0.07    -0.06   0.15   0.16
    77   1    -0.01  -0.09   0.04    -0.00   0.04   0.00    -0.01   0.06   0.05
    78   1     0.01   0.09   0.02     0.01  -0.06  -0.04     0.04  -0.11  -0.12
    79   1    -0.10  -0.02   0.11     0.04  -0.03  -0.07     0.05  -0.12  -0.13
    80   1    -0.08  -0.04  -0.03     0.00  -0.04  -0.06    -0.02  -0.02  -0.03
    81   1    -0.00  -0.04  -0.07    -0.03  -0.01  -0.01    -0.01  -0.01  -0.02
    82   1     0.01   0.01   0.05     0.05   0.03   0.00     0.01   0.01   0.01
    83   1     0.06   0.09   0.03     0.03   0.04   0.04     0.03   0.03   0.03
    84   1     0.06   0.07   0.11     0.18   0.17   0.20     0.06   0.06   0.07
    85   1     0.03   0.09  -0.04     0.05   0.06   0.06     0.02   0.03   0.01
    86   1    -0.05  -0.11  -0.03    -0.12  -0.12  -0.15    -0.04  -0.05  -0.05
    87   1    -0.10   0.04  -0.13    -0.13  -0.13  -0.17    -0.05  -0.03  -0.07
    88   1     0.02   0.00  -0.02     0.01  -0.10   0.10    -0.03   0.16  -0.15
    89   1    -0.01   0.01   0.01     0.04  -0.10   0.07    -0.05   0.15  -0.12
    90   1     0.01  -0.01  -0.01    -0.03   0.05  -0.02     0.04  -0.08   0.04
    91   1     0.00   0.00   0.01    -0.04   0.14  -0.10     0.06  -0.22   0.16
    92   1     0.01  -0.02   0.00    -0.02   0.06  -0.04     0.03  -0.08   0.05
    93   1     0.00   0.00   0.01    -0.00   0.04  -0.01     0.01  -0.06   0.02
    94   1    -0.01   0.00  -0.02     0.01  -0.03   0.02    -0.01   0.04  -0.03
    95   1     0.00   0.02  -0.00     0.03  -0.04   0.05    -0.04   0.05  -0.07
    96  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --    864.5296               866.1981               867.1930
 Red. masses --      1.7415                 1.5383                 1.4249
 Frc consts  --      0.7669                 0.6800                 0.6314
 IR Inten    --      1.0928                 2.3777                 0.1864
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.03    -0.00   0.00  -0.01    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.02    -0.00  -0.00   0.06     0.00   0.00  -0.04
     3   6    -0.01  -0.01  -0.01     0.00   0.00  -0.05    -0.00  -0.00   0.02
     4   6    -0.02  -0.00  -0.02     0.00  -0.00   0.03    -0.00   0.00  -0.02
     5   6    -0.03  -0.00   0.01     0.00   0.00  -0.02    -0.00  -0.00   0.02
     6   6     0.01   0.03   0.03     0.00  -0.00  -0.02    -0.00  -0.00   0.02
     7   6    -0.00   0.02   0.01     0.00  -0.00   0.05     0.00   0.00  -0.00
     8   6    -0.02   0.01   0.03     0.00   0.00  -0.02     0.00   0.00  -0.00
     9   6     0.02  -0.00  -0.03    -0.00  -0.00   0.01     0.00   0.00  -0.00
    10   6     0.01   0.01   0.03    -0.00   0.00  -0.02    -0.00  -0.00   0.01
    11   6    -0.00   0.04  -0.02    -0.00   0.00  -0.08    -0.00   0.00  -0.02
    12   6     0.04   0.02   0.05    -0.00  -0.00   0.02     0.00   0.00   0.00
    13   6    -0.01  -0.04  -0.06     0.00   0.00   0.02    -0.00  -0.00   0.01
    14   6    -0.03   0.01  -0.04    -0.00  -0.00   0.03    -0.00  -0.00   0.01
    15   7     0.03   0.01   0.01    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    16   6     0.02   0.01  -0.03    -0.00  -0.00   0.01     0.00   0.00  -0.00
    17   6     0.00  -0.02   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   7     0.02  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    20   6    -0.02   0.01   0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
    21   6    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.00  -0.00  -0.00
    22   6    -0.02  -0.03   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    23   7     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.01
    24   7     0.04  -0.02  -0.00     0.01  -0.02  -0.00     0.01  -0.01  -0.00
    25   7     0.00  -0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   6    -0.01   0.02   0.02     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    27   6    -0.00  -0.02  -0.02    -0.00   0.02   0.02    -0.00   0.01   0.01
    28   6    -0.02  -0.01   0.01     0.01  -0.04  -0.04     0.01  -0.02  -0.02
    29   6     0.00   0.00   0.01    -0.01   0.03   0.03    -0.01   0.02   0.02
    30   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.00
    31   6     0.00   0.02   0.02    -0.01  -0.01  -0.02     0.01   0.01   0.02
    32   6    -0.01   0.01  -0.00     0.01   0.02   0.02    -0.03  -0.03  -0.04
    33   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02     0.03   0.03   0.03
    34   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    35   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    37   6    -0.00   0.02  -0.01     0.00  -0.01   0.01    -0.00   0.00  -0.00
    38   6    -0.03  -0.00   0.02    -0.02   0.04   0.05    -0.01   0.03   0.03
    39   6     0.02   0.00   0.02    -0.00   0.03   0.04    -0.00   0.02   0.02
    40   6     0.00   0.02  -0.03     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    41   6    -0.00  -0.01  -0.02     0.02  -0.06  -0.06     0.01  -0.04  -0.04
    42   6     0.00  -0.04  -0.04    -0.00   0.01   0.00     0.00  -0.00  -0.00
    43   6     0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    44   6     0.00   0.03   0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    45   6    -0.02   0.03   0.03     0.01  -0.00  -0.00    -0.00   0.00   0.00
    46   6    -0.02   0.01  -0.01    -0.02  -0.01  -0.02     0.04   0.04   0.05
    47   6     0.01  -0.01  -0.02    -0.01  -0.01  -0.02     0.02   0.03   0.04
    48   6    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.02  -0.02  -0.02
    49   6    -0.00   0.01   0.02     0.02   0.02   0.03    -0.04  -0.05  -0.06
    50   6     0.01   0.03   0.03    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    51   6     0.02   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.01  -0.01
    52   6    -0.01  -0.03  -0.01     0.01   0.01   0.01     0.00   0.00   0.00
    53   6    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.00   0.00   0.00
    54   6    -0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00   0.00  -0.00
    55   6    -0.00   0.02  -0.01     0.00  -0.01   0.01    -0.00   0.00  -0.00
    56   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    57   6     0.01  -0.03   0.03    -0.00   0.01  -0.01     0.00  -0.00   0.00
    58   6     0.00  -0.01   0.02    -0.00   0.01  -0.01     0.00  -0.00   0.00
    59   6    -0.00  -0.00   0.02    -0.00   0.00  -0.01     0.00  -0.00   0.00
    60   6    -0.01   0.00  -0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    61   6     0.01   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    62   1    -0.01   0.00  -0.10     0.02   0.01  -0.26    -0.01  -0.01   0.22
    63   1    -0.01  -0.04  -0.10    -0.00  -0.00   0.10     0.00   0.00  -0.11
    64   1    -0.01   0.05  -0.16    -0.00  -0.01   0.15     0.01   0.01  -0.15
    65   1    -0.02  -0.00   0.11     0.02  -0.03   0.40     0.00  -0.01   0.12
    66   1    -0.04  -0.07   0.36    -0.00   0.02  -0.16    -0.00   0.01  -0.05
    67   1    -0.00   0.02   0.27    -0.00   0.01  -0.14    -0.00   0.00  -0.05
    68   1     0.04   0.01   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    69   1    -0.01   0.03  -0.19    -0.00  -0.00   0.04    -0.00   0.00  -0.00
    70   1    -0.02   0.01  -0.25    -0.00  -0.00   0.05     0.00   0.00  -0.01
    71   1    -0.06  -0.02  -0.05     0.01   0.00   0.03    -0.00  -0.00  -0.00
    72   1    -0.02  -0.08  -0.11     0.07  -0.24  -0.26     0.05  -0.16  -0.18
    73   1     0.04  -0.06  -0.04     0.08  -0.22  -0.23     0.05  -0.14  -0.15
    74   1    -0.04   0.07   0.02    -0.04   0.12   0.11    -0.03   0.09   0.09
    75   1    -0.03   0.09   0.10    -0.10   0.31   0.31    -0.07   0.22   0.21
    76   1    -0.09   0.22   0.21     0.00  -0.01  -0.02    -0.01   0.04   0.03
    77   1    -0.03   0.08   0.09    -0.00   0.02   0.01    -0.01   0.03   0.03
    78   1     0.06  -0.14  -0.16    -0.01   0.03   0.03     0.00  -0.01  -0.01
    79   1     0.05  -0.18  -0.18     0.01   0.01  -0.00     0.01  -0.03  -0.04
    80   1     0.01   0.06   0.08     0.08   0.10   0.12    -0.20  -0.23  -0.28
    81   1     0.05   0.03   0.03     0.09   0.09   0.11    -0.19  -0.20  -0.24
    82   1    -0.05  -0.04  -0.01    -0.04  -0.04  -0.05     0.11   0.12   0.14
    83   1    -0.05  -0.05  -0.08    -0.11  -0.13  -0.15     0.27   0.30   0.34
    84   1    -0.13  -0.13  -0.14     0.05   0.05   0.07     0.03   0.03   0.03
    85   1    -0.04  -0.04  -0.07     0.01   0.01   0.02     0.03   0.03   0.04
    86   1     0.08   0.07   0.11    -0.04  -0.04  -0.06     0.00  -0.00  -0.00
    87   1     0.08   0.12   0.11    -0.03  -0.04  -0.04    -0.03  -0.03  -0.04
    88   1     0.03  -0.12   0.11    -0.01   0.05  -0.04     0.00  -0.01   0.01
    89   1     0.03  -0.11   0.09    -0.01   0.04  -0.03     0.00  -0.01   0.01
    90   1    -0.02   0.06  -0.04     0.01  -0.03   0.02    -0.00   0.01  -0.00
    91   1    -0.04   0.16  -0.12     0.02  -0.07   0.05    -0.00   0.01  -0.01
    92   1    -0.03   0.09  -0.07     0.02  -0.05   0.04    -0.00   0.01  -0.01
    93   1    -0.01   0.05  -0.02     0.01  -0.03   0.02    -0.00   0.00  -0.00
    94   1     0.01  -0.06   0.04    -0.01   0.03  -0.03     0.00  -0.00   0.00
    95   1     0.03  -0.06   0.07    -0.02   0.04  -0.04     0.00  -0.01   0.01
    96  17    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --    868.9227               873.4900               874.5851
 Red. masses --      1.4502                 1.4970                 1.4814
 Frc consts  --      0.6451                 0.6730                 0.6676
 IR Inten    --      2.4614                 1.3290                 7.8361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01   0.01   0.04    -0.00   0.00   0.02
     2   6    -0.00  -0.00   0.00     0.00   0.02  -0.04    -0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.04     0.00  -0.00   0.02
     5   6     0.00   0.00  -0.00     0.01  -0.00  -0.05     0.01   0.00  -0.02
     6   6     0.00   0.00  -0.00     0.00  -0.01  -0.05     0.00   0.00  -0.03
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   6    -0.00  -0.00   0.01    -0.00   0.00   0.01    -0.01  -0.00   0.00
    10   6     0.00  -0.00  -0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.01   0.02     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00   0.01   0.00
    14   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00  -0.01
    15   7     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    16   6    -0.00  -0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00   0.05
    17   6     0.00   0.00  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.01
    18   7     0.00  -0.00   0.01    -0.00   0.00   0.01     0.00  -0.00   0.01
    19   6     0.00   0.00  -0.03     0.00  -0.00   0.02    -0.00   0.00  -0.05
    20   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.01  -0.01  -0.05
    21   6    -0.00  -0.00   0.01     0.00   0.00  -0.02    -0.01  -0.00   0.04
    22   6     0.00  -0.00   0.04     0.00   0.00   0.01     0.00   0.01  -0.02
    23   7     0.00  -0.00  -0.00    -0.03  -0.01   0.02    -0.01  -0.01   0.01
    24   7     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   7    -0.00  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.02   0.02
    26   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    27   6    -0.00   0.00   0.00     0.00   0.00   0.01    -0.00   0.01   0.01
    28   6     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.01  -0.01
    29   6    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    30   6     0.00   0.00   0.00    -0.02  -0.03  -0.03    -0.01  -0.01  -0.01
    31   6    -0.00  -0.00  -0.00     0.02   0.03   0.03     0.01   0.01   0.01
    32   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.01   0.01    -0.00   0.00   0.00
    34   6    -0.01   0.05  -0.04    -0.00   0.01  -0.01     0.01  -0.01   0.01
    35   6     0.02  -0.05   0.04     0.01  -0.01   0.01    -0.01   0.02  -0.02
    36   6    -0.01   0.03  -0.02    -0.01   0.02  -0.02     0.02  -0.04   0.04
    37   6     0.00  -0.01   0.01     0.01  -0.02   0.01    -0.01   0.03  -0.02
    38   6    -0.00   0.00   0.00     0.00   0.02   0.01     0.00   0.01   0.01
    39   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.01   0.00
    40   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01  -0.00
    41   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.01
    42   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.01   0.01
    43   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.00
    45   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
    46   6    -0.00  -0.00  -0.00     0.02  -0.02   0.00     0.01  -0.01   0.00
    47   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    48   6     0.00  -0.00   0.00     0.01   0.02  -0.02     0.01   0.01  -0.01
    49   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    50   6    -0.00  -0.00  -0.00     0.05   0.04   0.04     0.02   0.02   0.01
    51   6    -0.00  -0.00  -0.00     0.03   0.03   0.01     0.01   0.01   0.00
    52   6     0.00   0.00   0.00    -0.03  -0.02  -0.03    -0.01  -0.01  -0.01
    53   6     0.00   0.00   0.00    -0.04  -0.03  -0.04    -0.02  -0.01  -0.02
    54   6     0.00  -0.00   0.00     0.00  -0.03   0.02     0.00   0.06  -0.04
    55   6    -0.00  -0.00   0.00     0.01  -0.02   0.01    -0.01   0.04  -0.03
    56   6     0.00  -0.01   0.00    -0.01   0.02  -0.00     0.01  -0.04   0.01
    57   6    -0.00   0.01  -0.01    -0.01   0.03  -0.02     0.02  -0.07   0.04
    58   6     0.03  -0.08   0.06    -0.00  -0.00   0.01     0.00   0.01  -0.02
    59   6     0.01  -0.03   0.02    -0.00   0.00   0.00     0.01  -0.01  -0.01
    60   6    -0.02   0.04  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.01
    61   6    -0.02   0.07  -0.06     0.00   0.01  -0.00    -0.01  -0.01   0.01
    62   1    -0.00   0.00  -0.02    -0.01  -0.00   0.19    -0.01   0.00   0.09
    63   1     0.00  -0.00   0.01     0.00  -0.01   0.27     0.00  -0.01   0.13
    64   1    -0.00   0.00   0.02    -0.00  -0.04   0.36    -0.00  -0.01   0.19
    65   1     0.00  -0.00   0.02     0.00   0.01  -0.10     0.01   0.01  -0.06
    66   1     0.00   0.00  -0.04     0.01   0.01  -0.02     0.01   0.01   0.02
    67   1     0.00   0.00  -0.02     0.00  -0.01  -0.02    -0.00  -0.01   0.02
    68   1     0.00   0.00  -0.03    -0.01   0.00   0.03    -0.00  -0.00  -0.06
    69   1    -0.00  -0.01   0.19     0.01  -0.00  -0.12    -0.01  -0.01   0.33
    70   1    -0.01  -0.00   0.21     0.01   0.00  -0.12    -0.00  -0.01   0.36
    71   1     0.00   0.00  -0.22     0.00   0.00  -0.06     0.02   0.00   0.10
    72   1     0.00  -0.01  -0.01     0.03  -0.06  -0.06     0.02  -0.04  -0.04
    73   1     0.00  -0.01  -0.01     0.01  -0.05  -0.05     0.01  -0.04  -0.04
    74   1    -0.00   0.00   0.00    -0.01   0.03   0.05    -0.01   0.02   0.03
    75   1    -0.00   0.01   0.02    -0.03   0.08   0.07    -0.02   0.06   0.05
    76   1     0.01  -0.03  -0.03     0.00   0.00   0.01     0.02  -0.05  -0.05
    77   1     0.00  -0.01  -0.01    -0.00   0.01   0.01     0.01  -0.02  -0.02
    78   1    -0.01   0.02   0.02    -0.00  -0.00   0.00    -0.01   0.03   0.04
    79   1    -0.01   0.02   0.02     0.00  -0.00  -0.01    -0.01   0.04   0.04
    80   1     0.00   0.01   0.01     0.05   0.00  -0.00     0.03   0.01   0.01
    81   1     0.01   0.01   0.01    -0.02  -0.01  -0.01    -0.00   0.00   0.00
    82   1    -0.00  -0.00  -0.00     0.01  -0.01  -0.05     0.00  -0.01  -0.03
    83   1    -0.01  -0.01  -0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.01
    84   1     0.02   0.02   0.02    -0.23  -0.26  -0.29    -0.09  -0.10  -0.11
    85   1     0.01   0.01   0.01    -0.13  -0.12  -0.18    -0.05  -0.04  -0.07
    86   1    -0.01  -0.01  -0.02     0.15   0.17   0.20     0.05   0.06   0.08
    87   1    -0.01  -0.02  -0.02     0.18   0.22   0.25     0.07   0.09   0.09
    88   1     0.01  -0.01   0.01    -0.06   0.14  -0.12     0.12  -0.29   0.24
    89   1    -0.01   0.03  -0.02    -0.04   0.11  -0.10     0.07  -0.22   0.20
    90   1    -0.01   0.03  -0.03     0.02  -0.08   0.08    -0.03   0.18  -0.17
    91   1    -0.00  -0.00   0.01     0.06  -0.18   0.14    -0.12   0.36  -0.28
    92   1    -0.14   0.45  -0.36    -0.01   0.03  -0.02     0.02  -0.05   0.03
    93   1    -0.06   0.19  -0.16     0.00   0.01   0.01    -0.01  -0.01  -0.02
    94   1     0.09  -0.31   0.25     0.01  -0.03   0.02    -0.01   0.05  -0.03
    95   1     0.11  -0.35   0.31     0.01  -0.01   0.01    -0.02   0.01  -0.03
    96  17    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                    121                    122                    123
                      A                      A                      A
 Frequencies --    876.5092               879.4244               898.7432
 Red. masses --      1.4817                 1.5442                 1.5993
 Frc consts  --      0.6707                 0.7036                 0.7611
 IR Inten    --      2.4502                 0.1820                 5.6902
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.00  -0.01   0.02    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.04     0.00  -0.00  -0.09     0.01   0.00  -0.02
     3   6    -0.00   0.00  -0.03    -0.01  -0.00   0.06     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.01   0.00  -0.03    -0.00   0.00   0.00
     5   6    -0.01  -0.00  -0.01    -0.00  -0.00   0.03     0.00  -0.00   0.00
     6   6     0.00   0.01  -0.00     0.00   0.01   0.02     0.00  -0.01   0.00
     7   6     0.01   0.01   0.02    -0.01   0.01  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.00   0.04    -0.01  -0.00   0.02     0.00  -0.00   0.00
     9   6     0.00  -0.00  -0.02     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   6     0.00   0.00   0.00     0.00   0.00   0.02    -0.02  -0.00   0.00
    11   6     0.00   0.02  -0.05     0.00   0.00   0.08    -0.00   0.00  -0.02
    12   6     0.01   0.00   0.05     0.01   0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01  -0.01  -0.05     0.00  -0.01  -0.02    -0.00  -0.00   0.00
    14   6    -0.01   0.00  -0.05    -0.00   0.00  -0.03    -0.00  -0.00   0.00
    15   7     0.00   0.00   0.01     0.01   0.00   0.01     0.01   0.00   0.01
    16   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.01  -0.00  -0.02
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01   0.06
    18   7     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.02   0.02  -0.02
    19   6    -0.00   0.00   0.01    -0.00   0.00   0.01    -0.02  -0.04   0.02
    20   6    -0.00   0.00   0.01    -0.01   0.00   0.01    -0.02  -0.00   0.02
    21   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01     0.04   0.02   0.03
    22   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.01  -0.14
    23   7     0.01  -0.00  -0.00    -0.01  -0.02   0.01    -0.01  -0.01   0.01
    24   7     0.02  -0.03   0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    25   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.06   0.04
    26   6     0.01  -0.03  -0.03     0.01  -0.01  -0.02    -0.00  -0.00   0.00
    27   6    -0.01   0.03   0.03    -0.01   0.02   0.02     0.00  -0.00  -0.00
    28   6    -0.01  -0.02  -0.01     0.01  -0.03  -0.03    -0.00   0.00   0.00
    29   6     0.00   0.00   0.01    -0.01   0.02   0.02     0.00  -0.00   0.00
    30   6    -0.00  -0.00  -0.01     0.01   0.01   0.02     0.00  -0.00   0.00
    31   6     0.01   0.01   0.01    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00
    32   6    -0.01  -0.00  -0.01     0.02   0.02   0.02     0.00  -0.00   0.00
    33   6     0.01   0.01   0.01    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.02   0.01
    35   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02  -0.02   0.02
    36   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    37   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01   0.01
    38   6    -0.02  -0.02  -0.00    -0.01   0.03   0.03    -0.00  -0.01  -0.00
    39   6     0.01  -0.01   0.00    -0.00   0.02   0.02     0.00  -0.00  -0.00
    40   6    -0.01   0.03  -0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.00
    41   6    -0.00   0.01  -0.01     0.01  -0.03  -0.03     0.00   0.00  -0.00
    42   6    -0.03   0.05   0.04    -0.01   0.02   0.03    -0.00   0.00  -0.00
    43   6    -0.02   0.04   0.02     0.00   0.00   0.02    -0.00   0.00  -0.01
    44   6     0.01  -0.03  -0.03     0.01  -0.01  -0.02    -0.00  -0.00   0.00
    45   6     0.03  -0.05  -0.05    -0.00  -0.02  -0.03     0.01   0.00   0.00
    46   6     0.00   0.02   0.01    -0.01  -0.02  -0.02     0.00  -0.01  -0.00
    47   6     0.01   0.01   0.00    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    48   6    -0.01  -0.01   0.00     0.02   0.02   0.01     0.01   0.01  -0.00
    49   6    -0.01  -0.01  -0.01     0.02   0.03   0.02     0.00   0.00  -0.00
    50   6     0.00   0.01   0.01    -0.01  -0.01  -0.02     0.00   0.00  -0.00
    51   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.00  -0.00
    52   6    -0.00  -0.01  -0.00     0.01  -0.00   0.01    -0.00  -0.00   0.00
    53   6    -0.01  -0.00  -0.01    -0.00   0.02   0.02    -0.00   0.00   0.00
    54   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    55   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    56   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.01
    57   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.01  -0.02
    58   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.02  -0.01
    59   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.06  -0.02
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.03   0.01
    61   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.06   0.01  -0.01
    62   1     0.01   0.01  -0.18    -0.03  -0.02   0.45     0.01  -0.02   0.12
    63   1    -0.01  -0.02   0.05     0.01  -0.00  -0.15     0.00   0.00  -0.01
    64   1    -0.00   0.01   0.06     0.01   0.02  -0.17     0.00  -0.01   0.00
    65   1     0.01  -0.01   0.24    -0.02   0.04  -0.43    -0.01  -0.01   0.12
    66   1    -0.01  -0.04   0.38    -0.00  -0.03   0.18    -0.00   0.00  -0.00
    67   1    -0.01  -0.02   0.32     0.01  -0.01   0.18    -0.00  -0.00  -0.01
    68   1     0.01   0.01  -0.03     0.01   0.00  -0.02     0.01   0.01  -0.00
    69   1     0.00   0.00  -0.04    -0.00   0.01  -0.05    -0.02  -0.03  -0.15
    70   1    -0.00   0.00  -0.05    -0.01   0.00  -0.06    -0.03  -0.03  -0.08
    71   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00    -0.03  -0.02   0.87
    72   1    -0.06   0.05   0.04     0.05  -0.15  -0.16    -0.01   0.02   0.02
    73   1     0.00   0.01   0.02     0.05  -0.11  -0.12    -0.00   0.01   0.01
    74   1    -0.01  -0.03  -0.08    -0.03   0.11   0.12     0.00  -0.02  -0.03
    75   1     0.02  -0.04  -0.04    -0.07   0.18   0.17     0.01  -0.01  -0.01
    76   1     0.10  -0.32  -0.31     0.05  -0.14  -0.13    -0.00   0.00  -0.00
    77   1     0.08  -0.17  -0.21     0.02  -0.09  -0.07     0.00   0.01  -0.01
    78   1    -0.06   0.19   0.21    -0.02   0.10   0.09     0.00  -0.00   0.00
    79   1    -0.07   0.28   0.29    -0.05   0.10   0.13     0.01   0.00  -0.01
    80   1    -0.06  -0.05  -0.06     0.10   0.10   0.12     0.02   0.01   0.01
    81   1    -0.04  -0.04  -0.06     0.07   0.07   0.09     0.00   0.00   0.01
    82   1     0.03   0.03   0.05    -0.06  -0.08  -0.10    -0.00  -0.01  -0.03
    83   1     0.06   0.07   0.07    -0.12  -0.12  -0.14    -0.01  -0.01  -0.01
    84   1    -0.04  -0.03  -0.03     0.07   0.07   0.07     0.00   0.00  -0.00
    85   1    -0.01  -0.02  -0.02     0.04   0.05   0.03    -0.00   0.01  -0.01
    86   1     0.02   0.02   0.03    -0.04  -0.05  -0.05    -0.00  -0.00   0.00
    87   1     0.02   0.03   0.03    -0.06  -0.03  -0.08    -0.00   0.01  -0.00
    88   1    -0.01   0.02  -0.02    -0.01   0.02  -0.02     0.00   0.02  -0.01
    89   1    -0.01   0.02  -0.01    -0.00   0.01  -0.01     0.01   0.01  -0.01
    90   1     0.00  -0.02   0.02     0.00  -0.01   0.01     0.03  -0.01  -0.01
    91   1     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.00  -0.03  -0.02
    92   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02   0.10  -0.06
    93   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.06   0.11  -0.18
    94   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.07
    95   1     0.00   0.01  -0.00     0.00   0.00   0.00    -0.01  -0.19   0.08
    96  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    124                    125                    126
                      A                      A                      A
 Frequencies --    900.0318               907.2664               933.8804
 Red. masses --      1.5265                 4.9089                 3.5230
 Frc consts  --      0.7286                 2.3807                 1.8103
 IR Inten    --      5.2771                 6.6781                10.3640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     2   6     0.01   0.01  -0.10     0.08   0.01   0.05    -0.01  -0.00   0.00
     3   6    -0.00   0.01   0.02     0.04   0.02  -0.01    -0.00  -0.00  -0.00
     4   6    -0.01   0.00  -0.00    -0.03   0.02  -0.00     0.00  -0.01  -0.00
     5   6     0.01  -0.01   0.01     0.01  -0.01  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.00   0.01    -0.02  -0.07  -0.01     0.00   0.01   0.00
     7   6     0.00   0.01   0.01    -0.03   0.04  -0.01     0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.04   0.01  -0.00    -0.00  -0.00  -0.00
     9   6     0.01   0.01   0.00     0.09   0.01   0.00    -0.00  -0.01   0.00
    10   6    -0.01   0.01   0.00    -0.09   0.03  -0.00     0.00  -0.02   0.00
    11   6    -0.01   0.01  -0.09    -0.07   0.04   0.05     0.00  -0.00  -0.00
    12   6     0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00  -0.00   0.01
    13   6    -0.01  -0.00   0.01    -0.01  -0.07  -0.00     0.00   0.00  -0.00
    14   6    -0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00   0.00
    15   7     0.01   0.00  -0.00     0.12   0.03   0.00     0.01   0.00  -0.00
    16   6     0.00  -0.01   0.01     0.05  -0.05   0.01    -0.01   0.01  -0.01
    17   6    -0.01  -0.00  -0.01    -0.08  -0.01  -0.02    -0.00   0.01  -0.02
    18   7    -0.01   0.01   0.00    -0.10   0.08   0.01     0.00   0.01   0.00
    19   6    -0.01  -0.01  -0.01    -0.06  -0.13  -0.03    -0.03  -0.04   0.02
    20   6    -0.02   0.02  -0.01    -0.16   0.12  -0.02     0.00  -0.05   0.03
    21   6     0.02   0.01  -0.00     0.19   0.07   0.03     0.03   0.04  -0.12
    22   6     0.00  -0.02   0.03     0.02  -0.13   0.04     0.01  -0.02   0.08
    23   7    -0.04  -0.03   0.03     0.01   0.02  -0.01    -0.01  -0.01   0.01
    24   7     0.02  -0.04   0.03    -0.00   0.02  -0.00    -0.00   0.01  -0.01
    25   7     0.02  -0.01  -0.01     0.20   0.03  -0.04    -0.02   0.15   0.19
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    27   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
    28   6    -0.01   0.01   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    29   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   6     0.01  -0.01   0.01    -0.00   0.00  -0.01     0.00  -0.01   0.00
    31   6    -0.01  -0.00  -0.01     0.01   0.00   0.00    -0.00   0.00  -0.00
    32   6     0.01  -0.00   0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
    34   6     0.00  -0.00   0.00     0.02   0.02   0.02     0.05   0.08   0.07
    35   6    -0.00   0.00  -0.00    -0.05   0.00   0.01    -0.04   0.00  -0.01
    36   6    -0.01  -0.01  -0.00    -0.05  -0.04  -0.01     0.02  -0.00  -0.00
    37   6     0.01  -0.00  -0.01     0.05  -0.01  -0.04    -0.06   0.02   0.05
    38   6    -0.02  -0.03  -0.02     0.00   0.01   0.01     0.01   0.00  -0.00
    39   6     0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    40   6    -0.01   0.04  -0.01     0.00  -0.02  -0.01     0.00  -0.00   0.01
    41   6    -0.00   0.02  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    42   6    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   6    -0.01   0.02  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
    44   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   6     0.02   0.01   0.01    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    46   6     0.01  -0.04  -0.01     0.00   0.01   0.01     0.01  -0.01   0.00
    47   6    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    48   6     0.02   0.03  -0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.01
    49   6     0.01   0.01  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    50   6     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    51   6     0.01   0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.01
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    53   6    -0.02   0.02   0.01     0.01  -0.01  -0.00    -0.01   0.01   0.00
    54   6    -0.02  -0.01  -0.01    -0.12  -0.05  -0.03     0.09   0.04   0.03
    55   6     0.01  -0.00  -0.01     0.08  -0.01  -0.04    -0.02   0.01   0.01
    56   6    -0.00   0.01   0.02     0.00   0.07   0.11     0.01  -0.07  -0.11
    57   6    -0.00   0.00   0.01    -0.05  -0.00   0.01    -0.02  -0.05  -0.04
    58   6    -0.01   0.00   0.00    -0.06  -0.01   0.01     0.04  -0.07  -0.01
    59   6    -0.00   0.01  -0.00     0.03  -0.01  -0.05     0.05  -0.05  -0.16
    60   6     0.01   0.00   0.00     0.04   0.04   0.04     0.02   0.06   0.01
    61   6     0.00  -0.01   0.01    -0.07  -0.03   0.02    -0.13  -0.08   0.06
    62   1    -0.02  -0.05   0.62     0.13  -0.04  -0.31    -0.01   0.01  -0.02
    63   1     0.02  -0.02  -0.08    -0.01   0.02   0.03     0.00   0.01  -0.01
    64   1     0.03  -0.00  -0.06    -0.01  -0.07   0.01    -0.00   0.02  -0.02
    65   1    -0.00  -0.06   0.61    -0.13   0.01  -0.31     0.01  -0.00   0.01
    66   1    -0.03   0.01  -0.03    -0.02  -0.07  -0.01     0.01   0.00   0.01
    67   1    -0.02  -0.01  -0.07     0.01   0.01   0.03     0.00   0.01   0.00
    68   1     0.00   0.01   0.01     0.07   0.06  -0.03     0.01   0.01   0.05
    69   1     0.01  -0.02   0.06     0.05  -0.16   0.17    -0.10  -0.02  -0.14
    70   1    -0.03   0.01   0.05    -0.22   0.04   0.11    -0.02  -0.08  -0.15
    71   1    -0.00  -0.01  -0.21    -0.10  -0.11  -0.30     0.01  -0.01  -0.45
    72   1    -0.07   0.10   0.09     0.02  -0.05  -0.06     0.01   0.00   0.01
    73   1    -0.01   0.03   0.05     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    74   1     0.01  -0.09  -0.14    -0.02   0.06   0.07     0.01  -0.01   0.00
    75   1     0.03  -0.06  -0.05    -0.01   0.02   0.01    -0.00   0.00   0.01
    76   1    -0.01   0.02  -0.01     0.00  -0.01   0.00     0.00   0.00   0.01
    77   1     0.01   0.03  -0.02    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    78   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    79   1     0.03   0.01  -0.02    -0.01   0.00   0.01    -0.01   0.00   0.01
    80   1     0.10   0.05   0.07    -0.04  -0.04  -0.05     0.00  -0.01  -0.01
    81   1     0.02   0.02   0.04    -0.01  -0.00  -0.01     0.00   0.00   0.01
    82   1    -0.04  -0.07  -0.12     0.03   0.04   0.06     0.02   0.01  -0.00
    83   1    -0.05  -0.04  -0.05     0.02   0.01   0.01    -0.00  -0.00  -0.01
    84   1     0.02   0.01  -0.01    -0.01  -0.01   0.00    -0.01  -0.01  -0.02
    85   1     0.01   0.04  -0.02    -0.01  -0.02   0.00     0.01   0.02   0.00
    86   1    -0.01  -0.01   0.00     0.00   0.01  -0.00     0.01   0.01   0.01
    87   1    -0.02   0.02  -0.02     0.01  -0.01   0.02    -0.02  -0.00  -0.02
    88   1    -0.03  -0.01   0.02    -0.19  -0.04   0.14     0.10   0.08  -0.08
    89   1     0.01  -0.01  -0.00     0.08  -0.01  -0.03     0.01  -0.00   0.06
    90   1    -0.02   0.02   0.01    -0.09   0.12   0.07     0.14  -0.12  -0.07
    91   1    -0.00   0.01  -0.00    -0.03  -0.00  -0.02    -0.02  -0.01  -0.12
    92   1    -0.00  -0.02   0.02    -0.05  -0.00   0.05    -0.03   0.15  -0.23
    93   1     0.02  -0.04   0.04     0.04  -0.10   0.01     0.04  -0.38   0.03
    94   1     0.00   0.02  -0.01     0.05   0.05   0.01     0.05  -0.10   0.15
    95   1    -0.01   0.03  -0.04    -0.10  -0.02  -0.13    -0.24   0.17  -0.31
    96  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
                    127                    128                    129
                      A                      A                      A
 Frequencies --    934.1074               935.6341               937.9550
 Red. masses --      4.6160                 2.8021                 1.3618
 Frc consts  --      2.3731                 1.4452                 0.7059
 IR Inten    --      1.9850                 9.3298                 0.1906
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.07    -0.01   0.00  -0.09    -0.00   0.00  -0.00
     2   6    -0.00  -0.01  -0.04    -0.01   0.01   0.06     0.00   0.00  -0.00
     3   6     0.01   0.00   0.01    -0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6     0.00   0.01   0.01    -0.01  -0.01  -0.01    -0.00   0.00  -0.01
     5   6    -0.03   0.00  -0.01     0.02  -0.01   0.01     0.00  -0.00   0.01
     6   6    -0.02  -0.01  -0.03     0.03   0.02   0.03     0.00   0.00   0.00
     7   6     0.02   0.00  -0.01     0.01   0.01  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.01  -0.02     0.00  -0.01  -0.01     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00   0.00
    11   6     0.01   0.02   0.07     0.01   0.01   0.03    -0.00   0.00  -0.00
    12   6     0.03   0.00  -0.13     0.00  -0.00  -0.05     0.00   0.00   0.00
    13   6    -0.03   0.04   0.04    -0.01   0.01   0.02    -0.00  -0.00  -0.00
    14   6    -0.04   0.01   0.02    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    15   7    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   7     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    19   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.01    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    23   7     0.08   0.06  -0.11    -0.08  -0.08   0.13    -0.00  -0.01   0.00
    24   7     0.09  -0.17   0.18     0.02  -0.06   0.07     0.00   0.00  -0.00
    25   7    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   6    -0.04  -0.07   0.05    -0.02  -0.03   0.02     0.00   0.00  -0.00
    27   6     0.02   0.01  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    28   6    -0.03  -0.02  -0.01    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    29   6     0.09  -0.04   0.06     0.03  -0.02   0.02    -0.00   0.00   0.00
    30   6    -0.01   0.04  -0.03     0.01  -0.06   0.04     0.01   0.01   0.01
    31   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02   0.02   0.02
    32   6    -0.01   0.02   0.00     0.01  -0.02  -0.01    -0.01  -0.01  -0.02
    33   6     0.06  -0.00  -0.04    -0.07  -0.00   0.04    -0.00  -0.00   0.00
    34   6     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    37   6    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.15  -0.04   0.05    -0.06   0.01   0.04     0.00  -0.01  -0.01
    39   6     0.04  -0.03   0.01     0.02  -0.02  -0.01    -0.00   0.00   0.00
    40   6    -0.01   0.10  -0.15     0.00   0.02  -0.07    -0.00   0.00   0.01
    41   6    -0.00   0.07  -0.02    -0.00   0.04   0.01     0.00  -0.01  -0.00
    42   6    -0.05   0.04  -0.03    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    43   6    -0.04   0.08  -0.12    -0.02   0.03  -0.05     0.00  -0.00   0.00
    44   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    45   6     0.11   0.03   0.03     0.05   0.01   0.01    -0.00   0.00   0.00
    46   6    -0.07   0.06  -0.02     0.10  -0.04   0.06     0.02   0.02   0.03
    47   6     0.03   0.00  -0.01    -0.04  -0.02  -0.00    -0.01  -0.01  -0.02
    48   6    -0.03  -0.05   0.09     0.01   0.04  -0.12    -0.01  -0.01  -0.02
    49   6    -0.02  -0.03   0.02     0.03   0.06   0.00     0.01   0.02   0.02
    50   6    -0.04  -0.01   0.02     0.04   0.02  -0.02    -0.04  -0.04  -0.05
    51   6    -0.03  -0.03   0.07     0.04   0.03  -0.09     0.04   0.04   0.04
    52   6     0.00   0.02  -0.00    -0.01  -0.02   0.01     0.03   0.03   0.04
    53   6     0.05  -0.05  -0.02    -0.06   0.06   0.03    -0.05  -0.05  -0.07
    54   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    56   6     0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    58   6     0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    59   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    60   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    61   6    -0.01  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    62   1    -0.01  -0.01   0.14     0.01   0.04  -0.26    -0.00  -0.00   0.03
    63   1    -0.04   0.03   0.10     0.04  -0.05  -0.11     0.00   0.00  -0.08
    64   1    -0.05  -0.02   0.09     0.06   0.02  -0.11     0.01   0.00  -0.02
    65   1     0.01   0.05  -0.29     0.01   0.03  -0.16    -0.00  -0.00   0.01
    66   1    -0.07   0.07  -0.17    -0.03   0.02  -0.07    -0.00  -0.00   0.00
    67   1    -0.07  -0.01  -0.18    -0.02  -0.01  -0.07    -0.00   0.00   0.00
    68   1    -0.01   0.00   0.04    -0.01   0.00   0.01     0.00  -0.00  -0.00
    69   1    -0.01  -0.00  -0.01     0.01   0.01   0.00    -0.00   0.00  -0.00
    70   1     0.00  -0.01  -0.01     0.01   0.01   0.00    -0.00  -0.00  -0.00
    71   1     0.00   0.00  -0.03     0.01   0.00   0.01     0.00   0.00  -0.00
    72   1    -0.14  -0.17  -0.24    -0.00  -0.18  -0.21    -0.01   0.04   0.04
    73   1    -0.01   0.05   0.13    -0.03   0.08   0.11     0.01  -0.02  -0.02
    74   1    -0.18   0.24  -0.01    -0.10   0.18   0.09     0.01  -0.03  -0.03
    75   1     0.03  -0.06  -0.19     0.04  -0.11  -0.16    -0.01   0.03   0.03
    76   1    -0.03   0.01  -0.13    -0.01  -0.00  -0.05     0.00  -0.00  -0.00
    77   1     0.03   0.21  -0.06     0.01   0.08  -0.02    -0.00  -0.00   0.00
    78   1     0.01   0.01   0.08     0.00   0.00   0.03    -0.00   0.00   0.00
    79   1     0.15   0.01  -0.11     0.06   0.01  -0.04    -0.00  -0.00  -0.00
    80   1    -0.05   0.11   0.11    -0.08  -0.27  -0.30    -0.12  -0.13  -0.15
    81   1    -0.01  -0.02  -0.06     0.09   0.10   0.16     0.07   0.08   0.10
    82   1    -0.13  -0.07   0.04     0.26   0.20   0.10     0.08   0.08   0.09
    83   1     0.02   0.01   0.09    -0.13  -0.12  -0.23    -0.09  -0.09  -0.10
    84   1    -0.00   0.02   0.09    -0.02  -0.04  -0.12     0.24   0.26   0.28
    85   1    -0.04  -0.13   0.02     0.07   0.17  -0.01    -0.21  -0.22  -0.27
    86   1    -0.01  -0.02  -0.05     0.02   0.03   0.07    -0.17  -0.19  -0.23
    87   1     0.10  -0.01   0.08    -0.13   0.01  -0.12     0.29   0.33   0.38
    88   1     0.01   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    89   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    90   1     0.01  -0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    91   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00   0.01  -0.02     0.00  -0.01   0.01    -0.00   0.00  -0.00
    93   1     0.00  -0.03   0.00    -0.00   0.02  -0.00     0.00  -0.00   0.00
    94   1     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    95   1    -0.02   0.01  -0.02     0.01  -0.00   0.02    -0.00   0.00  -0.00
    96  17     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
                    130                    131                    132
                      A                      A                      A
 Frequencies --    939.2257               939.3618               940.4590
 Red. masses --      1.4060                 1.3601                 1.4450
 Frc consts  --      0.7307                 0.7071                 0.7530
 IR Inten    --      0.1840                 0.7315                 1.7226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.00     0.00   0.00   0.03
     2   6    -0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00  -0.00  -0.03
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.01
     5   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     6   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.02
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
    15   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    23   7     0.02   0.02  -0.02     0.00   0.00  -0.00     0.02   0.03  -0.03
    24   7     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
    25   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    27   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01   0.02   0.02
    28   6    -0.01   0.01   0.02    -0.00   0.00   0.00     0.01  -0.01  -0.01
    29   6     0.00   0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.01
    30   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.01   0.01  -0.02
    31   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    33   6     0.01  -0.01  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.02
    34   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.02   0.02    -0.00  -0.00   0.00
    36   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00   0.00  -0.00
    37   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.00   0.00
    38   6     0.01  -0.05  -0.05     0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   6    -0.00   0.03   0.04    -0.00   0.00   0.00     0.00  -0.01  -0.02
    40   6    -0.01   0.04   0.03    -0.00   0.00   0.00     0.00  -0.02  -0.01
    41   6     0.01  -0.04  -0.04     0.00  -0.00  -0.00    -0.00   0.01   0.02
    42   6    -0.01   0.01   0.01    -0.00   0.00   0.00     0.02  -0.05  -0.05
    43   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00    -0.01   0.03   0.05
    44   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.01   0.04   0.04
    45   6     0.00   0.02   0.02    -0.00   0.00   0.00     0.01  -0.06  -0.06
    46   6     0.02   0.05   0.04     0.00   0.00   0.00     0.01   0.05   0.03
    47   6    -0.01  -0.02  -0.03    -0.00  -0.00  -0.00    -0.01  -0.02  -0.03
    48   6    -0.03  -0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.04  -0.00
    49   6     0.02   0.03   0.04     0.00   0.00   0.00     0.02   0.02   0.04
    50   6     0.01   0.01   0.02     0.00   0.00   0.00    -0.00   0.01   0.02
    51   6    -0.02  -0.02  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.01
    52   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
    53   6     0.03   0.01   0.02     0.00   0.00   0.00     0.03  -0.01   0.01
    54   6    -0.00   0.00  -0.00     0.02  -0.08   0.07     0.00   0.00   0.00
    55   6     0.00  -0.00   0.00    -0.01   0.05  -0.04    -0.00   0.00   0.00
    56   6     0.00  -0.00   0.00    -0.01   0.05  -0.05     0.00  -0.00  -0.00
    57   6    -0.00   0.00  -0.00     0.01  -0.06   0.05    -0.00  -0.00  -0.00
    58   6     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    59   6    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.00  -0.00   0.00
    60   6    -0.00   0.00  -0.00     0.01  -0.01   0.02     0.00  -0.00   0.00
    61   6     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00   0.00  -0.00
    62   1    -0.01  -0.01   0.08     0.00  -0.00   0.00    -0.01  -0.02   0.16
    63   1    -0.01   0.01   0.04    -0.00   0.00   0.00    -0.01   0.01   0.04
    64   1    -0.02  -0.00   0.03    -0.00  -0.00   0.00    -0.01  -0.01   0.03
    65   1    -0.00   0.01  -0.07    -0.00   0.00  -0.00    -0.00  -0.02   0.10
    66   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    67   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.06
    68   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00  -0.01   0.02
    69   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.08    -0.00   0.00   0.00
    70   1    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    71   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.05     0.00   0.00  -0.01
    72   1    -0.12   0.29   0.29    -0.01   0.02   0.02     0.05  -0.12  -0.12
    73   1     0.07  -0.18  -0.18     0.00  -0.01  -0.01    -0.03   0.09   0.09
    74   1     0.06  -0.19  -0.21     0.00  -0.01  -0.01    -0.01   0.06   0.07
    75   1    -0.08   0.25   0.21    -0.01   0.01   0.01     0.03  -0.10  -0.08
    76   1     0.02  -0.08  -0.08     0.00  -0.01  -0.01    -0.09   0.27   0.25
    77   1    -0.02   0.07   0.06    -0.00   0.01   0.01     0.07  -0.22  -0.21
    78   1    -0.02   0.07   0.08    -0.00   0.01   0.01     0.07  -0.22  -0.23
    79   1     0.04  -0.11  -0.12     0.00  -0.01  -0.01    -0.12   0.33   0.34
    80   1    -0.22  -0.20  -0.24    -0.01  -0.01  -0.01    -0.19  -0.15  -0.18
    81   1     0.12   0.13   0.15     0.01   0.01   0.01     0.11   0.11   0.12
    82   1     0.12   0.14   0.19     0.00   0.01   0.01     0.07   0.10   0.16
    83   1    -0.17  -0.18  -0.17    -0.01  -0.01  -0.01    -0.14  -0.15  -0.13
    84   1    -0.09  -0.09  -0.08    -0.01  -0.01  -0.01    -0.05  -0.05  -0.04
    85   1     0.07   0.06   0.11     0.00   0.00   0.01     0.04   0.01   0.07
    86   1     0.05   0.06   0.06     0.00   0.00   0.00     0.03   0.03   0.03
    87   1    -0.08  -0.11  -0.11    -0.01  -0.01  -0.01    -0.03  -0.07  -0.05
    88   1     0.01  -0.03   0.02    -0.15   0.45  -0.36     0.00  -0.00   0.00
    89   1    -0.01   0.02  -0.01     0.09  -0.27   0.22     0.00   0.00   0.00
    90   1    -0.01   0.02  -0.01     0.10  -0.32   0.25     0.00   0.00  -0.00
    91   1     0.01  -0.02   0.02    -0.12   0.36  -0.26     0.00  -0.00   0.00
    92   1    -0.00   0.01  -0.00     0.03  -0.10   0.07     0.00  -0.01   0.01
    93   1     0.00  -0.01   0.00    -0.02   0.07  -0.06    -0.00   0.01  -0.01
    94   1     0.00  -0.01   0.00    -0.03   0.09  -0.07    -0.00   0.01  -0.01
    95   1    -0.00   0.01  -0.01     0.04  -0.14   0.11     0.00  -0.02   0.01
    96  17     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --    941.3027               941.5964               958.2348
 Red. masses --      1.4471                 1.5057                 7.2577
 Frc consts  --      0.7554                 0.7865                 3.9264
 IR Inten    --      1.3769                 2.2299                 0.9799
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.03    -0.13   0.09   0.01
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.03     0.02  -0.05   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02  -0.20  -0.01
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01    -0.03   0.03   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.19   0.06  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.05  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.20  -0.01
     8   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01   0.00
     9   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.04   0.04   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.04   0.05  -0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.03    -0.05  -0.03   0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.04     0.15   0.04   0.01
    13   6     0.00   0.00   0.00    -0.00   0.01   0.01    -0.04   0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.15   0.13  -0.00
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
    16   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04  -0.00
    19   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.02   0.00
    20   6     0.00   0.01  -0.01     0.00   0.00  -0.00     0.00  -0.01   0.00
    21   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00    -0.01  -0.01  -0.00
    22   6    -0.00   0.01  -0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    23   7     0.00   0.00  -0.00    -0.02  -0.02   0.03    -0.17   0.17  -0.01
    24   7    -0.00   0.00  -0.00     0.01  -0.04   0.03     0.22   0.09  -0.00
    25   7     0.01  -0.04  -0.04    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    26   6     0.00   0.00  -0.00    -0.01  -0.00   0.03     0.06   0.07  -0.04
    27   6    -0.00   0.00   0.00     0.00   0.01   0.00    -0.04  -0.00  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.03  -0.02   0.01
    29   6    -0.00  -0.00  -0.00     0.01   0.00   0.03     0.08  -0.02   0.03
    30   6    -0.00   0.00  -0.00     0.00  -0.01   0.01    -0.03   0.09  -0.05
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.02  -0.01
    32   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.02  -0.03   0.01
    33   6     0.00  -0.00  -0.00    -0.01   0.01   0.02    -0.08   0.02   0.04
    34   6    -0.02  -0.00  -0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    35   6     0.00   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    36   6    -0.00  -0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    37   6     0.01   0.00  -0.02     0.00   0.00  -0.00    -0.01   0.00   0.00
    38   6     0.00   0.00   0.00    -0.01  -0.05  -0.04    -0.11  -0.05   0.01
    39   6    -0.00  -0.00  -0.00     0.00   0.02   0.04     0.06  -0.01   0.03
    40   6     0.00  -0.00  -0.00    -0.01   0.05   0.01     0.00   0.06  -0.06
    41   6    -0.00   0.00   0.00     0.01  -0.03  -0.05    -0.06  -0.03   0.01
    42   6     0.00  -0.00   0.00     0.01  -0.03  -0.05    -0.06  -0.01  -0.01
    43   6     0.00  -0.00   0.00    -0.02   0.05   0.01     0.05  -0.06   0.07
    44   6     0.00   0.00  -0.00    -0.01   0.02   0.04     0.05   0.04  -0.03
    45   6    -0.00  -0.00  -0.00     0.04  -0.04  -0.04    -0.13  -0.03  -0.01
    46   6     0.00   0.00   0.00    -0.00  -0.04  -0.02     0.09  -0.09   0.01
    47   6    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.03
    48   6    -0.00  -0.00   0.00     0.02   0.03  -0.01     0.02   0.06  -0.06
    49   6     0.00   0.00   0.00    -0.01  -0.01  -0.03     0.05  -0.05   0.01
    50   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.05  -0.04  -0.01
    51   6    -0.00  -0.00   0.00     0.02   0.01  -0.01    -0.07  -0.04   0.08
    52   6    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.03   0.06  -0.03
    53   6     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.12  -0.09  -0.02
    54   6    -0.01  -0.03   0.01    -0.00  -0.00   0.00     0.01   0.00   0.00
    55   6     0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.01   0.04   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.01
    57   6     0.01  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
    58   6     0.02  -0.05   0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    59   6    -0.03   0.06  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.02   0.04  -0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    61   6     0.05  -0.07   0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
    62   1    -0.00  -0.00   0.01     0.01   0.03  -0.17     0.04  -0.13  -0.07
    63   1    -0.00  -0.00   0.00     0.01  -0.01  -0.03     0.23  -0.04   0.08
    64   1    -0.00  -0.00   0.01     0.01   0.00  -0.03     0.07  -0.00   0.02
    65   1     0.00  -0.00   0.01     0.00   0.03  -0.19    -0.09  -0.08  -0.08
    66   1     0.00   0.00  -0.00    -0.02   0.01  -0.05    -0.07   0.02   0.03
    67   1     0.00  -0.00   0.00    -0.01   0.00  -0.08    -0.19   0.10   0.07
    68   1    -0.00  -0.00  -0.02    -0.00   0.00   0.01    -0.01  -0.08  -0.01
    69   1     0.02   0.00   0.04     0.00   0.00   0.00    -0.01   0.03  -0.00
    70   1     0.01   0.02   0.04     0.00   0.00   0.00    -0.01  -0.03  -0.00
    71   1    -0.01   0.00   0.25    -0.00   0.00   0.01     0.05   0.02   0.01
    72   1     0.01  -0.02  -0.02    -0.13   0.25   0.25    -0.18   0.04  -0.08
    73   1    -0.00   0.01   0.01     0.06  -0.17  -0.16     0.08   0.02  -0.00
    74   1    -0.00   0.01   0.01     0.03  -0.15  -0.20     0.00   0.05  -0.07
    75   1     0.01  -0.02  -0.01    -0.08   0.25   0.19    -0.06  -0.02   0.02
    76   1     0.00  -0.00   0.00    -0.08   0.24   0.19    -0.06  -0.02  -0.01
    77   1    -0.00  -0.00   0.00     0.07  -0.15  -0.20     0.03  -0.07   0.08
    78   1    -0.00  -0.00  -0.00     0.06  -0.18  -0.17     0.07   0.05   0.00
    79   1    -0.00  -0.00   0.00    -0.06   0.28   0.26    -0.14  -0.15   0.07
    80   1    -0.01  -0.01  -0.01     0.14   0.10   0.13     0.18  -0.04  -0.09
    81   1     0.01   0.01   0.01    -0.08  -0.08  -0.09    -0.07   0.05   0.00
    82   1     0.00   0.01   0.01    -0.04  -0.07  -0.11     0.02   0.05  -0.07
    83   1    -0.01  -0.01  -0.01     0.10   0.11   0.09     0.04  -0.05   0.02
    84   1    -0.00  -0.01  -0.00     0.03   0.03   0.01     0.05  -0.04  -0.01
    85   1     0.00   0.00   0.01    -0.02   0.00  -0.05    -0.05  -0.05   0.10
    86   1     0.00   0.00   0.00    -0.02  -0.02  -0.01    -0.06   0.06  -0.01
    87   1    -0.00  -0.01  -0.00     0.01   0.05   0.02     0.09  -0.19   0.10
    88   1    -0.07   0.12  -0.10    -0.00   0.01  -0.01     0.01  -0.00  -0.00
    89   1     0.02  -0.08   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    90   1     0.01  -0.09   0.11     0.00  -0.01   0.01     0.00  -0.01  -0.01
    91   1    -0.04   0.14  -0.07    -0.00   0.01  -0.00     0.00  -0.00  -0.00
    92   1    -0.12   0.38  -0.24    -0.00   0.02  -0.01     0.00   0.00  -0.00
    93   1     0.09  -0.25   0.26     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    94   1     0.08  -0.28   0.22     0.00  -0.01   0.01    -0.00  -0.01   0.01
    95   1    -0.09   0.45  -0.33    -0.00   0.02  -0.01    -0.00   0.01  -0.00
    96  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    136                    137                    138
                      A                      A                      A
 Frequencies --    976.2186               977.3901               977.7513
 Red. masses --      1.2554                 1.2637                 1.2530
 Frc consts  --      0.7049                 0.7112                 0.7058
 IR Inten    --      0.8166                 1.0069                 0.5838
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.01  -0.01   0.00     0.01   0.01   0.00     0.00   0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
    15   7    -0.00   0.01   0.00    -0.00  -0.01  -0.00     0.00  -0.00   0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   7     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.00  -0.01
    20   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.00   0.01
    23   7    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   7     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    30   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    35   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.00   0.00   0.00
    39   6    -0.00   0.00   0.00    -0.02   0.05   0.05     0.00  -0.00  -0.00
    40   6     0.00  -0.00  -0.00     0.02  -0.06  -0.06    -0.00   0.00   0.00
    41   6     0.00   0.00   0.00    -0.01   0.03   0.03     0.00  -0.00  -0.00
    42   6     0.00   0.00   0.00     0.01  -0.02  -0.02     0.00   0.00   0.00
    43   6    -0.00  -0.00  -0.00    -0.01   0.03   0.03     0.00  -0.00  -0.00
    44   6    -0.00   0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
    45   6     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.00  -0.00  -0.00
    46   6     0.01   0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    47   6    -0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6     0.02   0.03   0.03     0.00   0.00   0.01    -0.00  -0.00  -0.00
    49   6    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    50   6     0.02   0.02   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    51   6    -0.04  -0.04  -0.05     0.00   0.00   0.00    -0.00  -0.00  -0.00
    52   6     0.04   0.04   0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6    -0.02  -0.03  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.02  -0.02
    55   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04   0.03
    56   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.04
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.02
    58   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.03  -0.03
    59   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.06   0.05
    60   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.04
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.02
    62   1    -0.01   0.00  -0.02     0.01  -0.01   0.01     0.00   0.00  -0.00
    63   1    -0.00  -0.00   0.09     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    64   1     0.00   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    65   1     0.01   0.00  -0.01    -0.01  -0.00   0.05    -0.00   0.00  -0.00
    66   1     0.00   0.00  -0.00    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    67   1     0.00   0.00   0.00    -0.00   0.00  -0.06    -0.00  -0.00   0.00
    68   1     0.00   0.01  -0.00    -0.00  -0.02   0.02    -0.00  -0.00  -0.01
    69   1    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00   0.00   0.06
    70   1     0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.02
    71   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.01   0.00  -0.06
    72   1    -0.00   0.01   0.01    -0.07   0.22   0.24     0.00  -0.01  -0.01
    73   1     0.00  -0.01  -0.01     0.11  -0.35  -0.36    -0.00   0.01   0.01
    74   1    -0.00   0.01   0.01    -0.13   0.38   0.38     0.00  -0.01  -0.01
    75   1     0.00  -0.00  -0.00     0.09  -0.25  -0.23    -0.00   0.01   0.01
    76   1     0.00  -0.00  -0.00    -0.04   0.11   0.11     0.00  -0.00  -0.00
    77   1    -0.00   0.00   0.00     0.06  -0.17  -0.18    -0.00   0.01   0.00
    78   1     0.00  -0.00  -0.00    -0.05   0.15   0.15     0.00  -0.00  -0.00
    79   1    -0.00   0.00   0.00     0.03  -0.08  -0.09    -0.00   0.00   0.00
    80   1    -0.08  -0.08  -0.11    -0.02  -0.02  -0.02     0.00   0.00   0.00
    81   1     0.13   0.15   0.17     0.02   0.03   0.03    -0.00  -0.00  -0.00
    82   1    -0.15  -0.16  -0.19    -0.03  -0.03  -0.03     0.00   0.00   0.00
    83   1     0.10   0.11   0.12     0.02   0.02   0.02    -0.00  -0.00  -0.00
    84   1    -0.17  -0.19  -0.20     0.01   0.01   0.01    -0.00  -0.00  -0.00
    85   1     0.27   0.30   0.35    -0.02  -0.02  -0.02     0.01   0.01   0.01
    86   1    -0.26  -0.27  -0.33     0.02   0.02   0.02    -0.00  -0.01  -0.01
    87   1     0.16   0.18   0.22    -0.01  -0.01  -0.01     0.00   0.00   0.00
    88   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.05  -0.15   0.13
    89   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.08   0.26  -0.21
    90   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.09  -0.28   0.23
    91   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06   0.18  -0.13
    92   1    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.07  -0.25   0.18
    93   1     0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.11   0.37  -0.30
    94   1     0.00   0.00  -0.00     0.00  -0.01   0.01     0.11  -0.33   0.28
    95   1    -0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.06   0.20  -0.18
    96  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    139                    140                    141
                      A                      A                      A
 Frequencies --    978.1767               979.3790               979.6077
 Red. masses --      1.2410                 1.2613                 1.2880
 Frc consts  --      0.6996                 0.7128                 0.7282
 IR Inten    --      0.0853                 0.8426                 0.8538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.01     0.01   0.00   0.00    -0.02  -0.01  -0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.02   0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.02  -0.01   0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.00    -0.02  -0.02  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.00   0.00  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.02   0.01
    14   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01  -0.02
    15   7     0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.02   0.00
    19   6    -0.00   0.00   0.00    -0.00   0.01   0.01     0.00  -0.01   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.01   0.00
    23   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   7    -0.00   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01   0.00
    27   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.01
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    35   6     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6    -0.00   0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    38   6     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.00  -0.02  -0.02
    39   6    -0.00   0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.02
    40   6     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.01  -0.02  -0.03
    41   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.01   0.01
    42   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.01   0.03   0.03
    43   6    -0.00   0.00   0.00    -0.01   0.02   0.01     0.02  -0.05  -0.06
    44   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.01   0.05   0.05
    45   6    -0.00   0.00   0.00    -0.00   0.01   0.01     0.01  -0.03  -0.03
    46   6    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    47   6     0.04   0.04   0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6    -0.04  -0.04  -0.05     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   6     0.02   0.03   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   6     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    51   6    -0.02  -0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    52   6     0.02   0.02   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    53   6    -0.01  -0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6     0.00  -0.00   0.00     0.01  -0.03   0.03    -0.00  -0.01   0.01
    55   6    -0.00   0.00  -0.00    -0.02   0.05  -0.04    -0.00   0.02  -0.01
    56   6     0.00  -0.00   0.00     0.01  -0.05   0.04     0.00  -0.01   0.02
    57   6     0.00   0.00  -0.00    -0.00   0.03  -0.02    -0.00   0.01  -0.01
    58   6     0.00  -0.00   0.00    -0.01   0.02  -0.02    -0.00   0.01  -0.01
    59   6    -0.00   0.00  -0.00     0.01  -0.04   0.03     0.00  -0.01   0.01
    60   6    -0.00  -0.00   0.00    -0.01   0.04  -0.03    -0.00   0.01  -0.01
    61   6     0.00   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.01   0.01
    62   1     0.00  -0.01   0.05     0.01   0.00  -0.01    -0.02  -0.00   0.01
    63   1    -0.00  -0.00   0.04    -0.00  -0.01   0.00     0.00   0.01  -0.00
    64   1    -0.00  -0.00  -0.02     0.00  -0.01  -0.00    -0.00   0.02   0.00
    65   1    -0.00  -0.00   0.02    -0.01   0.01  -0.01     0.01  -0.01   0.03
    66   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02     0.01   0.02  -0.05
    67   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.04     0.00  -0.00   0.11
    68   1    -0.00  -0.00   0.01    -0.00  -0.02   0.03     0.00   0.03  -0.04
    69   1     0.00   0.00  -0.00     0.01   0.01  -0.05    -0.00  -0.01  -0.01
    70   1    -0.00  -0.00   0.00    -0.01  -0.01   0.02     0.01   0.01  -0.00
    71   1     0.00   0.00   0.00     0.03   0.00  -0.04    -0.03  -0.01  -0.02
    72   1    -0.00   0.02   0.02     0.01  -0.04  -0.04    -0.04   0.11   0.12
    73   1     0.01  -0.03  -0.03    -0.02   0.06   0.06     0.05  -0.16  -0.16
    74   1    -0.01   0.03   0.03     0.02  -0.06  -0.06    -0.05   0.16   0.16
    75   1     0.01  -0.02  -0.02    -0.01   0.04   0.03     0.04  -0.11  -0.09
    76   1    -0.01   0.02   0.02    -0.02   0.06   0.06     0.07  -0.23  -0.21
    77   1     0.01  -0.03  -0.03     0.03  -0.10  -0.10    -0.12   0.35   0.37
    78   1    -0.01   0.02   0.02    -0.03   0.09   0.10     0.12  -0.32  -0.34
    79   1     0.00  -0.01  -0.01     0.02  -0.06  -0.06    -0.07   0.20   0.22
    80   1     0.16   0.18   0.23    -0.00  -0.00  -0.00     0.01   0.01   0.01
    81   1    -0.25  -0.28  -0.33     0.01   0.01   0.01    -0.01  -0.01  -0.01
    82   1     0.27   0.29   0.35    -0.01  -0.01  -0.01     0.01   0.01   0.01
    83   1    -0.18  -0.19  -0.20     0.01   0.01   0.01    -0.01  -0.01  -0.01
    84   1    -0.09  -0.09  -0.10    -0.00  -0.00  -0.00     0.00   0.00   0.00
    85   1     0.14   0.15   0.18     0.00   0.00   0.00    -0.01  -0.01  -0.00
    86   1    -0.14  -0.15  -0.18    -0.00  -0.00  -0.00     0.00   0.00   0.00
    87   1     0.10   0.11   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.00
    88   1     0.00   0.00  -0.00    -0.06   0.22  -0.19    -0.03   0.07  -0.06
    89   1     0.00  -0.01   0.00     0.10  -0.34   0.28     0.03  -0.10   0.08
    90   1    -0.00   0.01  -0.01    -0.11   0.35  -0.28    -0.03   0.11  -0.08
    91   1     0.00  -0.00   0.00     0.07  -0.21   0.15     0.02  -0.07   0.05
    92   1    -0.00   0.00  -0.00     0.05  -0.16   0.12     0.02  -0.06   0.04
    93   1     0.00  -0.00   0.00    -0.08   0.26  -0.21    -0.03   0.09  -0.07
    94   1    -0.00   0.00  -0.00     0.08  -0.25   0.21     0.03  -0.08   0.07
    95   1     0.00   0.00   0.00    -0.05   0.17  -0.14    -0.02   0.05  -0.05
    96  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    142                    143                    144
                      A                      A                      A
 Frequencies --    981.5138              1001.3445              1001.5969
 Red. masses --      4.8259                 1.2985                 1.2928
 Frc consts  --      2.7392                 0.7671                 0.7641
 IR Inten    --     13.0609                 4.2960                 2.9483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
     2   6     0.15   0.05   0.01    -0.01  -0.01  -0.01     0.00   0.00  -0.01
     3   6     0.01   0.03  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
     4   6    -0.11   0.12   0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
     5   6    -0.02  -0.04  -0.00     0.00   0.01  -0.10    -0.00   0.00  -0.08
     6   6    -0.04  -0.16  -0.01     0.00   0.00   0.08    -0.00  -0.01   0.06
     7   6     0.00   0.04   0.00     0.00   0.00  -0.01    -0.00   0.00   0.01
     8   6     0.14   0.05   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   6     0.14   0.15   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.00
    10   6    -0.12   0.18   0.01     0.00  -0.00  -0.01    -0.00   0.01  -0.01
    11   6    -0.11   0.10   0.01     0.00   0.01   0.01    -0.00  -0.00  -0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
    13   6    -0.02  -0.16  -0.01     0.00   0.00  -0.06    -0.00  -0.00   0.08
    14   6     0.01  -0.05  -0.01    -0.00  -0.00   0.07     0.00   0.00  -0.09
    15   7     0.00  -0.12  -0.01     0.00   0.00  -0.02    -0.00  -0.01   0.02
    16   6    -0.03  -0.03   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
    17   6     0.03  -0.02   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7    -0.05  -0.14  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6    -0.01   0.10   0.00     0.00  -0.00   0.01     0.00   0.00  -0.01
    20   6     0.01  -0.03   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    21   6    -0.02  -0.04  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.08   0.09   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    23   7     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    24   7    -0.03  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   7    -0.06   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    35   6     0.01  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    36   6     0.01   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   6    -0.04   0.01   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    40   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    41   6     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    42   6    -0.00   0.02   0.03    -0.00   0.00   0.01     0.01  -0.01  -0.01
    43   6     0.00  -0.02  -0.05    -0.00  -0.00  -0.01    -0.00   0.01   0.01
    44   6    -0.01   0.02   0.03     0.00   0.01   0.00    -0.00  -0.01  -0.00
    45   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    47   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    48   6     0.00   0.00   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    49   6    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6    -0.00   0.01   0.01    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    51   6     0.00  -0.00  -0.02     0.00   0.00   0.01     0.00   0.00   0.00
    52   6     0.01   0.00   0.01     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    53   6    -0.01   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    54   6     0.05   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.03  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    57   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    58   6     0.02  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    59   6    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.01  -0.02   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    61   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    62   1     0.18  -0.00  -0.02    -0.01  -0.01   0.02     0.00  -0.00   0.01
    63   1    -0.01  -0.10   0.01    -0.02  -0.03   0.61    -0.02  -0.02   0.47
    64   1     0.01  -0.18  -0.01     0.03   0.04  -0.47     0.02   0.02  -0.36
    65   1    -0.14   0.08  -0.02     0.00   0.01  -0.02    -0.01  -0.02   0.02
    66   1    -0.07  -0.16   0.03     0.02  -0.04   0.36    -0.02   0.05  -0.48
    67   1    -0.01  -0.07   0.02     0.00   0.04  -0.40    -0.00  -0.05   0.53
    68   1    -0.02  -0.27   0.04    -0.00  -0.00   0.21     0.00   0.00  -0.25
    69   1     0.03   0.10  -0.00     0.01  -0.00  -0.07    -0.00   0.00   0.08
    70   1    -0.06  -0.12   0.01    -0.00   0.01   0.09    -0.00  -0.01  -0.10
    71   1     0.27   0.06   0.06     0.01  -0.01   0.01     0.00   0.01   0.00
    72   1     0.02   0.01   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    73   1    -0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    74   1    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    75   1    -0.00   0.03   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    76   1     0.06  -0.18  -0.15     0.01  -0.07  -0.03    -0.02   0.09   0.04
    77   1    -0.08   0.23   0.22    -0.02   0.04   0.04     0.02  -0.05  -0.05
    78   1     0.06  -0.19  -0.19     0.02  -0.02  -0.02    -0.02   0.03   0.03
    79   1    -0.02   0.12   0.12    -0.00   0.00   0.02     0.01  -0.00  -0.03
    80   1    -0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    81   1     0.02   0.02   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    82   1    -0.03  -0.03  -0.03     0.00   0.00  -0.00     0.00   0.00   0.00
    83   1     0.02   0.03   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    84   1    -0.04  -0.04  -0.03     0.04   0.06   0.03     0.03   0.05   0.02
    85   1     0.04   0.04   0.04    -0.03  -0.03  -0.04    -0.02  -0.02  -0.03
    86   1    -0.03  -0.04  -0.04     0.02   0.01   0.02     0.02   0.01   0.01
    87   1     0.01   0.03   0.02    -0.01  -0.00  -0.02    -0.01   0.00  -0.02
    88   1     0.07  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    89   1    -0.03   0.03  -0.02    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    90   1     0.02  -0.06  -0.02     0.00  -0.01   0.01    -0.00   0.01  -0.01
    91   1     0.01   0.02  -0.01    -0.01   0.02  -0.01     0.01  -0.02   0.01
    92   1     0.00   0.07  -0.04     0.00   0.00  -0.00    -0.00   0.00  -0.00
    93   1     0.01  -0.08   0.06    -0.00   0.00   0.00     0.00  -0.00   0.00
    94   1    -0.05   0.06  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    95   1     0.03  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00   0.00
    96  17    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1005.3079              1014.9430              1020.5852
 Red. masses --      3.1484                 1.2776                 6.1678
 Frc consts  --      1.8747                 0.7754                 3.7851
 IR Inten    --      1.9664                 0.4516                 1.0018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.02  -0.00
     2   6     0.03  -0.01   0.00     0.00  -0.00  -0.00    -0.05  -0.11  -0.01
     3   6     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00   0.00    -0.02  -0.02  -0.00
     5   6     0.01   0.00   0.01     0.00   0.00  -0.00     0.01  -0.02  -0.00
     6   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.08   0.12   0.01
     7   6     0.00   0.01   0.00     0.00   0.00  -0.00     0.04   0.05   0.00
     8   6    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.05  -0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03  -0.01  -0.00     0.00   0.00   0.00    -0.01   0.12   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.02  -0.00
    13   6     0.01   0.03   0.01     0.00   0.00  -0.02     0.03  -0.12  -0.00
    14   6     0.00   0.01  -0.01    -0.00  -0.00   0.02     0.02   0.00  -0.01
    15   7     0.02   0.02   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    16   6     0.03  -0.04  -0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    17   6     0.03   0.03   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
    18   7    -0.03   0.05   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    19   6     0.04  -0.03   0.02     0.01   0.00  -0.11    -0.00  -0.00   0.00
    20   6    -0.13   0.23  -0.00    -0.01   0.01   0.10     0.00  -0.00  -0.00
    21   6    -0.01  -0.07  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    22   6     0.11  -0.17  -0.01     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   7    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.07   0.06   0.00
    24   7    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09  -0.04  -0.00
    25   7    -0.12  -0.01   0.01    -0.01  -0.00   0.00     0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.03
    27   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.06  -0.07
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.08  -0.07
    29   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.04   0.00  -0.02
    30   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.03   0.07  -0.02
    31   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.07   0.16
    32   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.05  -0.15   0.16
    33   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.01   0.02
    34   6    -0.03  -0.02  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
    36   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.01   0.01
    37   6    -0.08   0.01   0.04    -0.01   0.00   0.01     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.04   0.02  -0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.06  -0.02   0.04
    40   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    41   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.03   0.01
    42   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.12   0.01   0.03
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.03  -0.04
    44   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.07  -0.08   0.05
    45   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.08   0.02   0.01
    46   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.03   0.00
    47   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.16  -0.02  -0.10
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.02  -0.01
    49   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.13  -0.03
    50   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.19  -0.12  -0.06
    51   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.03  -0.02   0.05
    52   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.19  -0.11
    53   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.07  -0.05  -0.01
    54   6     0.09   0.04   0.02     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    55   6    -0.03   0.00   0.02    -0.02   0.00   0.00     0.01  -0.00  -0.00
    56   6    -0.00  -0.05  -0.07     0.00  -0.01   0.00    -0.00   0.00   0.00
    57   6     0.04   0.02   0.02     0.01   0.01  -0.00    -0.01  -0.00  -0.00
    58   6     0.04   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
    59   6    -0.01   0.01   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    60   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6     0.05   0.02   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    62   1     0.04  -0.04  -0.01     0.00  -0.00   0.00    -0.02  -0.21  -0.02
    63   1     0.02  -0.02  -0.03     0.00  -0.01   0.01     0.09  -0.27  -0.02
    64   1    -0.01  -0.01   0.03     0.00   0.00  -0.01     0.13   0.11   0.01
    65   1     0.03  -0.01   0.01     0.00   0.01  -0.00     0.04   0.17   0.01
    66   1     0.03   0.03  -0.06     0.01  -0.01   0.12     0.09  -0.14  -0.05
    67   1     0.02   0.03   0.06     0.00   0.02  -0.16     0.13   0.11   0.05
    68   1     0.03   0.03  -0.00     0.00   0.01  -0.11     0.02  -0.00  -0.01
    69   1     0.44  -0.09  -0.14     0.03  -0.03   0.71    -0.01   0.00  -0.01
    70   1    -0.05   0.35   0.09     0.01   0.02  -0.63     0.00  -0.01   0.01
    71   1     0.57  -0.25   0.04     0.04  -0.01   0.04    -0.02   0.00  -0.00
    72   1     0.01  -0.00   0.00     0.00   0.00   0.00     0.07  -0.01   0.03
    73   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.05  -0.04   0.06
    74   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    75   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.04   0.04
    76   1    -0.00   0.02   0.01     0.00  -0.02  -0.01     0.13  -0.00   0.03
    77   1     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.04   0.03  -0.04
    78   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.10  -0.07   0.03
    79   1     0.01   0.01  -0.01     0.00  -0.00   0.01     0.08   0.04  -0.02
    80   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.06  -0.02  -0.03
    81   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.16  -0.02  -0.11
    82   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.05   0.06  -0.01
    83   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.08   0.15  -0.06
    84   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.22  -0.09  -0.06
    85   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    86   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.11   0.21  -0.08
    87   1     0.01  -0.01   0.00     0.00  -0.00   0.00     0.06  -0.08   0.02
    88   1     0.12   0.01  -0.02     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    89   1    -0.05   0.00  -0.01    -0.02  -0.02   0.01     0.01  -0.00  -0.00
    90   1    -0.00  -0.08  -0.04    -0.01   0.04  -0.03    -0.00   0.00   0.00
    91   1     0.03   0.05  -0.02     0.05  -0.07   0.02    -0.01  -0.00  -0.00
    92   1     0.04   0.03   0.02    -0.00   0.01   0.00     0.01  -0.00  -0.00
    93   1    -0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    94   1    -0.06  -0.00   0.03    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    95   1     0.06   0.07   0.06     0.00   0.01   0.01    -0.00  -0.00  -0.00
    96  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1021.3414              1021.5301              1022.4549
 Red. masses --      7.0399                 7.1859                 5.3248
 Frc consts  --      4.3267                 4.4181                 3.2797
 IR Inten    --      2.8297                 1.8327                 2.4969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00   0.00   0.00    -0.03  -0.03   0.01
     2   6    -0.03  -0.06  -0.01     0.00   0.00   0.00    -0.07  -0.15  -0.01
     3   6     0.01  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.05  -0.00
     4   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.02  -0.03  -0.00
     5   6     0.01  -0.01   0.00     0.00   0.00   0.00     0.01  -0.02   0.00
     6   6     0.03   0.05  -0.00    -0.00  -0.00  -0.00     0.09   0.14   0.00
     7   6     0.02   0.02   0.00    -0.00   0.00  -0.00     0.05   0.06   0.00
     8   6    -0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.04   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.06   0.00     0.00  -0.00   0.00    -0.01   0.16   0.01
    12   6    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.02   0.03  -0.01
    13   6     0.02  -0.06  -0.00     0.00   0.00  -0.00     0.03  -0.15   0.01
    14   6     0.01   0.00  -0.00    -0.00   0.00   0.00     0.03   0.00  -0.01
    15   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    19   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.01   0.01   0.02     0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.00   0.00   0.00
    23   7    -0.02   0.04  -0.01     0.00  -0.00  -0.00    -0.07   0.09  -0.01
    24   7    -0.05  -0.01  -0.01     0.00  -0.00   0.00    -0.10  -0.06   0.01
    25   7     0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    26   6    -0.04  -0.03   0.01     0.00   0.00   0.00    -0.05  -0.05   0.04
    27   6    -0.11   0.14  -0.16     0.01  -0.01   0.01     0.06  -0.08   0.10
    28   6     0.01   0.18  -0.16    -0.00  -0.01   0.01    -0.01  -0.10   0.09
    29   6    -0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.07   0.00  -0.01
    30   6    -0.01   0.02  -0.02     0.00  -0.00   0.00    -0.03   0.07  -0.04
    31   6     0.11   0.06  -0.13     0.00   0.00  -0.00     0.05   0.03  -0.07
    32   6     0.04   0.12  -0.12     0.00   0.00  -0.00     0.02   0.06  -0.06
    33   6    -0.03   0.01   0.00     0.00   0.00  -0.00    -0.05   0.02   0.02
    34   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.00   0.00   0.00
    35   6    -0.01   0.01   0.01    -0.15   0.15   0.23     0.00  -0.00  -0.01
    36   6     0.00   0.01   0.01     0.01   0.20   0.24    -0.00  -0.00  -0.01
    37   6     0.00  -0.00   0.00     0.01   0.00   0.01     0.00  -0.00  -0.00
    38   6     0.01   0.00  -0.00     0.00   0.00   0.00     0.08   0.03  -0.00
    39   6     0.19  -0.05   0.11    -0.01   0.00  -0.01    -0.14   0.03  -0.08
    40   6    -0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.03   0.03
    41   6    -0.18  -0.10   0.05     0.01   0.01  -0.00     0.15   0.09  -0.04
    42   6     0.24   0.03   0.06    -0.02  -0.00  -0.00    -0.09  -0.01  -0.02
    43   6    -0.01   0.02  -0.03    -0.00  -0.00   0.00    -0.04   0.04  -0.05
    44   6    -0.14  -0.17   0.11     0.01   0.01  -0.01     0.06   0.08  -0.06
    45   6     0.06   0.01   0.00    -0.00  -0.00   0.00     0.08   0.01   0.01
    46   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.05  -0.05   0.00
    47   6    -0.15   0.03   0.09    -0.00   0.00   0.00    -0.10   0.03   0.06
    48   6     0.01   0.01  -0.01     0.00  -0.00   0.00     0.01   0.02  -0.03
    49   6     0.11  -0.14   0.04     0.00  -0.00   0.00     0.08  -0.10   0.03
    50   6    -0.13   0.08   0.04    -0.00   0.00   0.00    -0.04   0.03   0.01
    51   6    -0.02  -0.00   0.02     0.00   0.00  -0.00    -0.05  -0.02   0.05
    52   6     0.04  -0.14   0.08     0.00  -0.00   0.00     0.01  -0.06   0.04
    53   6     0.02  -0.01  -0.01    -0.00   0.00  -0.00     0.07  -0.05  -0.02
    54   6    -0.00  -0.00  -0.00    -0.02  -0.00   0.00    -0.00  -0.00  -0.00
    55   6     0.01  -0.00  -0.01     0.26  -0.05  -0.15    -0.01   0.00   0.00
    56   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.00   0.00   0.00
    57   6    -0.01  -0.01  -0.00    -0.24  -0.13  -0.08     0.00   0.00   0.00
    58   6     0.01   0.00  -0.00     0.29   0.05  -0.06    -0.01  -0.00   0.00
    59   6     0.00   0.00   0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    60   6    -0.01  -0.01  -0.01    -0.17  -0.19  -0.17     0.00   0.00   0.00
    61   6     0.00   0.00   0.00     0.03   0.01   0.00    -0.00  -0.00  -0.00
    62   1    -0.02  -0.11   0.02     0.01   0.00  -0.00    -0.03  -0.27  -0.00
    63   1     0.04  -0.12  -0.01     0.00   0.00  -0.00     0.11  -0.33  -0.03
    64   1     0.05   0.05   0.04    -0.00  -0.00   0.00     0.15   0.13   0.05
    65   1     0.02   0.08   0.03     0.00  -0.00  -0.00     0.04   0.22  -0.01
    66   1     0.05  -0.08   0.01     0.00   0.00   0.00     0.10  -0.16  -0.11
    67   1     0.07   0.06   0.01     0.00   0.00  -0.01     0.16   0.14   0.08
    68   1     0.01   0.00   0.00     0.00  -0.00  -0.01     0.02   0.00  -0.02
    69   1     0.00  -0.00   0.01     0.04  -0.01   0.08    -0.01   0.00  -0.02
    70   1     0.00   0.00  -0.01    -0.01   0.02  -0.10     0.00  -0.01   0.02
    71   1    -0.00  -0.00  -0.00     0.07  -0.03  -0.02    -0.02   0.00  -0.00
    72   1     0.03  -0.00   0.02     0.00  -0.00  -0.00     0.10  -0.01   0.04
    73   1     0.21  -0.05   0.10    -0.02   0.00  -0.01    -0.19  -0.01  -0.03
    74   1    -0.05  -0.02   0.01     0.00   0.00  -0.00    -0.01  -0.04   0.01
    75   1    -0.16  -0.14   0.06     0.01   0.01  -0.00     0.15   0.12  -0.01
    76   1     0.25  -0.01   0.07    -0.02   0.00  -0.01    -0.10   0.01  -0.04
    77   1     0.01   0.03  -0.02    -0.00  -0.00   0.00    -0.09   0.02  -0.05
    78   1    -0.18  -0.16   0.09     0.01   0.01  -0.01     0.06   0.09  -0.07
    79   1     0.05   0.03  -0.01    -0.00  -0.00   0.00     0.10   0.04  -0.01
    80   1     0.05  -0.01  -0.02    -0.00   0.00  -0.00     0.10  -0.03  -0.04
    81   1    -0.17   0.07   0.07    -0.00   0.00   0.00    -0.12   0.08   0.02
    82   1     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.04  -0.01
    83   1     0.09  -0.17   0.03     0.00  -0.00   0.00     0.07  -0.12   0.01
    84   1    -0.14   0.06   0.05    -0.00   0.00   0.00    -0.05   0.03   0.02
    85   1    -0.05   0.03   0.02     0.00   0.00   0.00    -0.08   0.02   0.05
    86   1     0.06  -0.15   0.08     0.00  -0.00   0.00     0.01  -0.06   0.05
    87   1     0.03  -0.02   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.01
    88   1    -0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00   0.00
    89   1     0.01  -0.00  -0.01     0.29  -0.02  -0.13    -0.01   0.00   0.00
    90   1    -0.00   0.00  -0.00    -0.06  -0.01  -0.01     0.00   0.00   0.00
    91   1    -0.01  -0.01  -0.00    -0.23  -0.19  -0.10     0.00   0.01   0.00
    92   1     0.01  -0.00  -0.00     0.31   0.00  -0.07    -0.01  -0.00   0.00
    93   1     0.00   0.00  -0.00     0.04   0.03  -0.00    -0.00  -0.00  -0.00
    94   1    -0.01  -0.01  -0.01    -0.22  -0.20  -0.14     0.01   0.00   0.00
    95   1     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
    96  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1049.4217              1050.3342              1050.7449
 Red. masses --      2.1523                 2.1770                 2.1520
 Frc consts  --      1.3965                 1.4150                 1.3998
 IR Inten    --      3.2034                 3.9856                 2.4952
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   7     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    25   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    27   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.01   0.00
    29   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    30   6     0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6    -0.02   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6    -0.02   0.02   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   6     0.00  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.00   0.00  -0.00
    36   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
    37   6     0.00   0.00   0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    38   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.03   0.07  -0.06
    39   6    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.13  -0.00   0.04
    40   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04  -0.10   0.08
    41   6     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.07   0.02  -0.03
    42   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.03
    43   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.09   0.05  -0.08
    44   6    -0.01  -0.01   0.00     0.01   0.00  -0.00     0.09   0.07  -0.04
    45   6    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.06  -0.03   0.05
    46   6     0.01  -0.08   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    47   6     0.11  -0.05  -0.04    -0.00   0.00   0.00     0.01  -0.00  -0.00
    48   6    -0.00   0.11  -0.09     0.00  -0.00   0.00    -0.00   0.01  -0.01
    49   6    -0.07   0.02   0.04     0.00  -0.00  -0.00    -0.01   0.00   0.00
    50   6    -0.03   0.07  -0.03     0.00  -0.00   0.00    -0.00   0.01  -0.00
    51   6    -0.10  -0.01   0.09     0.00   0.00  -0.00    -0.01  -0.00   0.01
    52   6     0.06  -0.10   0.04    -0.00   0.00  -0.00     0.01  -0.01   0.00
    53   6     0.07   0.00  -0.06    -0.00  -0.00   0.00     0.00   0.00  -0.00
    54   6     0.00   0.00   0.00     0.04   0.06   0.06    -0.00  -0.00  -0.00
    55   6     0.00   0.00  -0.00     0.12   0.00  -0.04    -0.01  -0.00   0.00
    56   6    -0.00  -0.00  -0.00    -0.04  -0.09  -0.09     0.00   0.01   0.01
    57   6    -0.00   0.00   0.00    -0.07   0.01   0.03     0.00  -0.00  -0.00
    58   6    -0.00  -0.00  -0.00    -0.05  -0.05  -0.04     0.00   0.00   0.00
    59   6    -0.00   0.00   0.00    -0.10   0.05   0.09     0.01  -0.00  -0.01
    60   6     0.00   0.00   0.00     0.10   0.07   0.05    -0.01  -0.00  -0.00
    61   6     0.00  -0.00  -0.00     0.08  -0.03  -0.06    -0.00   0.00   0.00
    62   1     0.00   0.04  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.00
    63   1    -0.01   0.02  -0.02     0.00  -0.00   0.00    -0.00   0.01  -0.00
    64   1    -0.03  -0.01   0.03     0.00  -0.00  -0.00    -0.01  -0.01   0.00
    65   1     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.02  -0.04   0.03
    66   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.04   0.03  -0.03
    67   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.01  -0.01   0.01
    68   1     0.00   0.00   0.00     0.00   0.00  -0.03    -0.00   0.00  -0.04
    69   1    -0.00   0.00   0.00    -0.01  -0.00   0.03    -0.00   0.00  -0.01
    70   1    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05     0.00   0.00   0.01
    71   1    -0.00   0.00   0.00    -0.04   0.01   0.02     0.00   0.00  -0.00
    72   1     0.01  -0.02   0.02    -0.01   0.02  -0.02    -0.12   0.27  -0.29
    73   1    -0.02  -0.01   0.00     0.01   0.01  -0.00     0.20   0.09  -0.02
    74   1     0.02   0.01  -0.01    -0.01  -0.01   0.00    -0.22  -0.13   0.07
    75   1     0.02  -0.02   0.03    -0.02   0.01  -0.02    -0.24   0.17  -0.31
    76   1     0.01   0.02  -0.02    -0.01  -0.02   0.02    -0.09  -0.25   0.28
    77   1     0.02   0.00   0.01    -0.02  -0.00  -0.00    -0.24  -0.03  -0.07
    78   1    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.20   0.05   0.02
    79   1    -0.01   0.02  -0.02     0.00  -0.02   0.02     0.05  -0.26   0.26
    80   1    -0.20  -0.18   0.30     0.00   0.00  -0.01    -0.02  -0.02   0.03
    81   1     0.15  -0.16   0.02    -0.00   0.00  -0.00     0.02  -0.02   0.00
    82   1    -0.15   0.20  -0.07     0.00  -0.00   0.00    -0.01   0.02  -0.01
    83   1    -0.28  -0.06   0.32     0.01   0.00  -0.01    -0.03  -0.00   0.03
    84   1     0.02   0.28  -0.29    -0.00  -0.00   0.00    -0.00   0.02  -0.02
    85   1    -0.21   0.12   0.08     0.00  -0.00  -0.00    -0.01   0.01   0.01
    86   1     0.17  -0.12  -0.02    -0.00   0.00   0.00     0.02  -0.01  -0.00
    87   1     0.14   0.22  -0.29    -0.00  -0.00   0.00     0.01   0.02  -0.02
    88   1    -0.00   0.00   0.01    -0.11   0.21   0.30     0.01  -0.01  -0.02
    89   1     0.00   0.00   0.00     0.19   0.08   0.03    -0.01  -0.00  -0.00
    90   1    -0.00  -0.00  -0.00    -0.21  -0.11  -0.09     0.01   0.01   0.01
    91   1    -0.00   0.00   0.01    -0.23   0.12   0.30     0.01  -0.01  -0.02
    92   1    -0.00  -0.01  -0.01    -0.08  -0.25  -0.33     0.01   0.02   0.02
    93   1    -0.01  -0.00   0.00    -0.26  -0.04   0.07     0.02   0.00  -0.00
    94   1     0.00   0.00  -0.00     0.21   0.05  -0.01    -0.01  -0.00   0.00
    95   1     0.00  -0.01  -0.01     0.07  -0.25  -0.32    -0.00   0.02   0.02
    96  17    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1056.6061              1057.7644              1057.9165
 Red. masses --      1.8054                 1.8021                 1.7943
 Frc consts  --      1.1875                 1.1880                 1.1832
 IR Inten    --      7.2733                 3.3019                 7.1258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.02  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00   0.00
     5   6     0.00   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6     0.00  -0.02  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.02   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6     0.01  -0.02  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    15   7    -0.00   0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    23   7     0.02   0.02  -0.03     0.00   0.01  -0.01     0.00  -0.00   0.00
    24   7    -0.01   0.00  -0.00     0.01  -0.03   0.03    -0.00   0.01  -0.01
    25   7    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.01  -0.02  -0.03
    26   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   6    -0.01   0.00  -0.01     0.05  -0.03   0.04    -0.01   0.01  -0.01
    28   6     0.00   0.01  -0.01    -0.02  -0.05   0.04     0.01   0.01  -0.01
    29   6    -0.01  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    30   6    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    31   6     0.06   0.01  -0.05     0.01   0.00  -0.01    -0.00  -0.00   0.00
    32   6    -0.00   0.06  -0.04    -0.00   0.01  -0.01     0.00  -0.00   0.00
    33   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    35   6    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.05  -0.02  -0.04
    36   6     0.00   0.00   0.00    -0.01  -0.01  -0.01    -0.02  -0.05  -0.05
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    38   6     0.00  -0.01   0.01     0.02   0.05  -0.04    -0.00  -0.01   0.01
    39   6    -0.01  -0.00  -0.00     0.07   0.01   0.01    -0.02  -0.00  -0.00
    40   6     0.01   0.01  -0.01    -0.04  -0.08   0.06     0.01   0.02  -0.02
    41   6     0.01  -0.00   0.01    -0.02   0.03  -0.04     0.01  -0.01   0.01
    42   6     0.00  -0.01   0.01     0.00   0.05  -0.04    -0.00  -0.01   0.01
    43   6    -0.02   0.01  -0.01     0.08  -0.04   0.07    -0.02   0.01  -0.02
    44   6     0.01   0.01  -0.00    -0.07  -0.04   0.01     0.02   0.01  -0.00
    45   6     0.01  -0.00   0.01    -0.05   0.04  -0.05     0.01  -0.01   0.01
    46   6    -0.00  -0.06   0.05     0.00  -0.01   0.01    -0.00   0.00  -0.00
    47   6     0.06  -0.04  -0.01     0.01  -0.01  -0.00    -0.00   0.00   0.00
    48   6    -0.01   0.09  -0.07    -0.00   0.02  -0.01     0.00  -0.00   0.00
    49   6    -0.04  -0.02   0.04    -0.00  -0.01   0.01     0.00   0.00  -0.00
    50   6    -0.01  -0.04   0.04    -0.00  -0.01   0.01    -0.00   0.00  -0.00
    51   6     0.09   0.00  -0.07     0.01  -0.00  -0.01    -0.00   0.00   0.00
    52   6    -0.05   0.06  -0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    53   6    -0.06  -0.01   0.05    -0.01  -0.00   0.01     0.00   0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.05   0.06
    55   6    -0.00  -0.00   0.00     0.02   0.00  -0.00     0.08   0.01  -0.01
    56   6     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.04  -0.08  -0.07
    57   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.03   0.03   0.04
    58   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.04   0.04
    59   6    -0.00   0.00   0.00     0.02  -0.01  -0.02     0.08  -0.03  -0.07
    60   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.06  -0.03  -0.02
    61   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.05   0.03   0.05
    62   1    -0.02   0.05  -0.00     0.00  -0.06  -0.01    -0.00   0.00  -0.00
    63   1    -0.01   0.04   0.02     0.00  -0.04  -0.00    -0.00   0.01   0.00
    64   1    -0.01  -0.00  -0.02     0.04   0.01   0.00     0.00   0.00   0.00
    65   1     0.03   0.06   0.00    -0.03  -0.03   0.01    -0.00  -0.01  -0.00
    66   1     0.04  -0.03  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    67   1     0.02   0.04   0.00    -0.02  -0.02  -0.00    -0.00  -0.00  -0.01
    68   1     0.00   0.01  -0.03    -0.01  -0.00   0.09    -0.00   0.01  -0.07
    69   1     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00   0.01   0.02
    70   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00  -0.01  -0.03
    71   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01  -0.01
    72   1     0.03  -0.04   0.05    -0.15   0.25  -0.29     0.04  -0.06   0.07
    73   1    -0.03  -0.02   0.01     0.13   0.08  -0.04    -0.03  -0.02   0.01
    74   1     0.03   0.01  -0.01    -0.19  -0.09   0.05     0.05   0.02  -0.01
    75   1     0.03  -0.03   0.05    -0.18   0.19  -0.28     0.04  -0.05   0.07
    76   1    -0.00  -0.04   0.05     0.04   0.27  -0.30    -0.01  -0.07   0.07
    77   1    -0.04  -0.01  -0.01     0.23   0.04   0.06    -0.05  -0.01  -0.01
    78   1     0.02   0.00   0.01    -0.17  -0.01  -0.04     0.04   0.00   0.01
    79   1     0.01  -0.05   0.05    -0.03   0.32  -0.31     0.01  -0.08   0.08
    80   1    -0.24  -0.17   0.32    -0.04  -0.03   0.06     0.00   0.00  -0.01
    81   1     0.09  -0.13   0.04     0.01  -0.02   0.01    -0.00   0.00  -0.00
    82   1    -0.14   0.17  -0.05    -0.03   0.03  -0.01     0.00  -0.00   0.00
    83   1    -0.24  -0.10   0.31    -0.04  -0.02   0.05     0.00   0.00  -0.01
    84   1    -0.06  -0.27   0.32    -0.01  -0.05   0.06     0.00   0.01  -0.01
    85   1     0.19  -0.12  -0.06     0.03  -0.02  -0.01    -0.00   0.00   0.00
    86   1    -0.15   0.08   0.05    -0.03   0.01   0.01     0.00  -0.00  -0.00
    87   1    -0.14  -0.27   0.33    -0.02  -0.05   0.06     0.00   0.01  -0.01
    88   1     0.00  -0.00  -0.01    -0.04   0.06   0.08    -0.18   0.23   0.34
    89   1    -0.00  -0.00  -0.00     0.03   0.02   0.01     0.14   0.09   0.05
    90   1     0.00   0.00   0.00    -0.05  -0.02  -0.02    -0.20  -0.10  -0.07
    91   1     0.00  -0.00  -0.01    -0.05   0.04   0.08    -0.20   0.16   0.33
    92   1    -0.00  -0.01  -0.01     0.01   0.05   0.08     0.02   0.23   0.32
    93   1    -0.00  -0.00   0.00     0.05   0.01  -0.01     0.22   0.04  -0.04
    94   1     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.15  -0.01   0.03
    95   1     0.00  -0.01  -0.01    -0.01   0.06   0.08    -0.04   0.26   0.33
    96  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
                    157                    158                    159
                      A                      A                      A
 Frequencies --   1063.7647              1067.6805              1080.3260
 Red. masses --      1.1401                 2.2501                 4.6564
 Frc consts  --      0.7601                 1.5112                 3.2019
 IR Inten    --     38.9803                 4.9898                41.5627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02  -0.00    -0.02   0.00   0.00
     2   6     0.00  -0.01   0.00     0.02   0.09   0.00    -0.16  -0.02  -0.01
     3   6     0.00   0.01   0.00    -0.05  -0.10  -0.00     0.06   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.02  -0.03  -0.00     0.18  -0.14  -0.00
     5   6    -0.00  -0.01   0.00     0.06   0.06   0.00    -0.04  -0.01  -0.00
     6   6     0.00   0.01   0.00    -0.06  -0.07  -0.00     0.03   0.14   0.01
     7   6    -0.00   0.01   0.00     0.03  -0.12  -0.01     0.03  -0.01  -0.00
     8   6    -0.01   0.00  -0.00     0.02  -0.01  -0.00     0.23   0.06   0.01
     9   6    -0.00   0.00   0.01    -0.02  -0.02  -0.00     0.11   0.14   0.01
    10   6    -0.00   0.00   0.02     0.02  -0.05   0.00     0.03  -0.16  -0.01
    11   6     0.01  -0.02  -0.00    -0.02   0.12   0.01    -0.14   0.03   0.01
    12   6     0.00  -0.00   0.00     0.00   0.02  -0.00    -0.02  -0.01   0.00
    13   6    -0.00   0.01   0.02     0.03  -0.12  -0.00    -0.04  -0.09  -0.01
    14   6     0.01  -0.01  -0.03    -0.04   0.09  -0.01    -0.02  -0.01  -0.00
    15   7     0.01   0.00  -0.08    -0.02   0.03  -0.01    -0.07   0.06  -0.00
    16   6     0.00   0.00   0.02    -0.01   0.01   0.00    -0.10  -0.05  -0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01   0.00    -0.10   0.09   0.00
    18   7     0.00  -0.00  -0.01     0.01   0.02  -0.00    -0.09  -0.04  -0.00
    19   6     0.00   0.00  -0.02     0.01  -0.02  -0.01     0.03  -0.02  -0.00
    20   6    -0.00  -0.00   0.01     0.01   0.01   0.00     0.01   0.02   0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    22   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.00     0.04   0.00  -0.00
    23   7    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.02  -0.02  -0.00
    24   7     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.03   0.02   0.00
    25   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.04   0.03  -0.01
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.01   0.00   0.00
    28   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
    29   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.04  -0.00   0.01
    30   6    -0.00   0.00  -0.00     0.01  -0.02   0.01     0.02  -0.03   0.01
    31   6     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.01  -0.00  -0.00
    32   6    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.01  -0.01   0.00
    33   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.03  -0.01  -0.01
    34   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00   0.00     0.02   0.02  -0.01    -0.04  -0.02   0.01
    39   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    40   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.01   0.01  -0.01
    41   6    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.01   0.01
    42   6    -0.00  -0.01   0.00     0.01   0.01  -0.00    -0.03  -0.01  -0.00
    43   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.01
    44   6     0.01   0.00  -0.00    -0.01  -0.01   0.00     0.02   0.01  -0.00
    45   6     0.00  -0.00   0.00     0.02   0.01  -0.00    -0.04  -0.01  -0.00
    46   6     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.02   0.02  -0.00
    47   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    48   6    -0.00   0.00  -0.00     0.00  -0.02   0.01    -0.00  -0.01   0.01
    49   6     0.00  -0.00   0.00    -0.00   0.02  -0.01    -0.02   0.02  -0.00
    50   6     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.02   0.01   0.00
    51   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.01
    52   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    53   6     0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.02   0.02   0.00
    54   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    55   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    58   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    60   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    62   1     0.01  -0.04  -0.01    -0.11   0.48   0.06    -0.16  -0.05  -0.00
    63   1     0.00  -0.03  -0.01    -0.03   0.34   0.01    -0.10   0.20  -0.01
    64   1     0.02   0.00   0.00    -0.22  -0.04  -0.02     0.15   0.12   0.02
    65   1    -0.01  -0.04  -0.00     0.23   0.41   0.06    -0.25  -0.08  -0.03
    66   1    -0.04   0.03  -0.11     0.27  -0.17  -0.06    -0.04  -0.09  -0.02
    67   1     0.01  -0.03   0.26     0.07   0.21   0.09    -0.17  -0.18   0.02
    68   1    -0.00  -0.04   0.93    -0.02   0.05   0.19    -0.29   0.12   0.06
    69   1    -0.00  -0.00   0.15     0.01  -0.02   0.03     0.22  -0.05   0.00
    70   1    -0.00  -0.00  -0.05     0.04   0.04  -0.01     0.03   0.05  -0.00
    71   1    -0.01  -0.00   0.02    -0.01  -0.01   0.00     0.45  -0.05   0.04
    72   1     0.01  -0.02   0.02    -0.00   0.05  -0.05    -0.04  -0.02   0.00
    73   1    -0.01  -0.00   0.00     0.00  -0.00   0.01     0.04   0.04  -0.03
    74   1     0.01   0.01  -0.00    -0.06  -0.02   0.01     0.05   0.02  -0.00
    75   1     0.01  -0.01   0.02    -0.00   0.02  -0.04    -0.05   0.01  -0.02
    76   1    -0.01  -0.01   0.03     0.02   0.05  -0.05    -0.04  -0.06   0.05
    77   1    -0.02  -0.01  -0.01    -0.00   0.00  -0.00     0.03   0.01   0.01
    78   1     0.02   0.00   0.00    -0.04   0.00  -0.01     0.07  -0.01   0.03
    79   1     0.00  -0.03   0.03     0.02   0.05  -0.04    -0.04  -0.05   0.03
    80   1    -0.00  -0.00   0.01     0.02   0.04  -0.04    -0.03   0.02   0.01
    81   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.02  -0.04   0.02
    82   1    -0.01   0.01  -0.00     0.04  -0.04   0.01     0.02  -0.02   0.00
    83   1    -0.00  -0.00   0.01     0.01   0.02  -0.04    -0.04   0.01   0.03
    84   1    -0.00  -0.01   0.01     0.00   0.05  -0.05    -0.01   0.05  -0.03
    85   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.01  -0.00
    86   1    -0.00   0.00   0.00     0.04  -0.01  -0.02     0.05  -0.02  -0.02
    87   1    -0.00  -0.01   0.01    -0.00   0.06  -0.05    -0.02   0.04  -0.02
    88   1    -0.01   0.01   0.01    -0.01   0.01   0.02     0.00   0.00   0.00
    89   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    90   1    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    91   1    -0.00   0.00   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.00
    92   1    -0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.00  -0.01
    93   1     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.00
    94   1    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
    95   1    -0.00   0.00   0.00    -0.00   0.01   0.01     0.01  -0.02  -0.03
    96  17     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    160                    161                    162
                      A                      A                      A
 Frequencies --   1125.0624              1130.0094              1132.7689
 Red. masses --      2.2339                 2.0889                 2.0035
 Frc consts  --      1.6659                 1.5715                 1.5147
 IR Inten    --     15.3140                 4.6115                49.3702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.07   0.05   0.00    -0.04   0.02   0.00
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00
     3   6     0.01   0.01   0.00     0.01  -0.02  -0.00     0.03   0.01   0.00
     4   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.02   0.04   0.00
     5   6     0.00   0.00   0.00     0.03  -0.00   0.00    -0.01  -0.02  -0.00
     6   6     0.00   0.01   0.00     0.02   0.02   0.00     0.02   0.01   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.02  -0.00     0.03  -0.01   0.00
     8   6     0.01  -0.00  -0.00    -0.01  -0.01  -0.00    -0.02  -0.03  -0.00
     9   6     0.01  -0.01  -0.00     0.00   0.00   0.00    -0.03  -0.04  -0.00
    10   6    -0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.01   0.04   0.00
    11   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.01   0.04   0.00
    12   6    -0.00  -0.00   0.00     0.05   0.01   0.00    -0.07  -0.01  -0.00
    13   6     0.00  -0.00   0.00     0.00   0.01   0.00     0.03  -0.02   0.00
    14   6    -0.00   0.00   0.00    -0.02   0.01   0.00     0.01   0.01  -0.00
    15   7     0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    16   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    17   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    18   7    -0.01   0.03   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
    19   6    -0.02  -0.02   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
    20   6     0.02  -0.03  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.10   0.06   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    22   6     0.01   0.02   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   7    -0.00   0.00  -0.00    -0.03   0.02   0.00    -0.02   0.01   0.00
    24   7    -0.00   0.00   0.00     0.02   0.01   0.00    -0.03  -0.01  -0.00
    25   7     0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00    -0.02  -0.00  -0.01     0.03  -0.00   0.01
    27   6     0.00  -0.00   0.00    -0.05   0.00  -0.02     0.08  -0.01   0.03
    28   6     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.06   0.05  -0.02
    29   6     0.00   0.00  -0.00    -0.02  -0.01   0.01     0.03   0.02  -0.01
    30   6     0.00  -0.00  -0.00     0.03  -0.02  -0.01     0.01  -0.00  -0.01
    31   6     0.00  -0.00  -0.00     0.07  -0.03  -0.03     0.04  -0.01  -0.02
    32   6     0.00  -0.00   0.00     0.04  -0.07   0.03     0.02  -0.04   0.01
    33   6     0.00  -0.00  -0.00     0.03  -0.03   0.01     0.01  -0.01   0.01
    34   6    -0.06  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    35   6    -0.10  -0.00   0.03    -0.00   0.00   0.00     0.01   0.00  -0.00
    36   6    -0.07  -0.06  -0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6    -0.05  -0.02  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00   0.00     0.04   0.03  -0.02    -0.06  -0.05   0.03
    39   6     0.00   0.00  -0.00    -0.02  -0.01   0.01     0.04   0.02  -0.01
    40   6     0.00   0.00  -0.00    -0.02  -0.00   0.00     0.03   0.01   0.00
    41   6    -0.01  -0.00   0.00     0.06   0.02  -0.00    -0.09  -0.02  -0.00
    42   6    -0.00  -0.00  -0.00     0.06   0.02   0.00    -0.08  -0.03  -0.00
    43   6     0.00   0.00   0.00    -0.02  -0.01   0.00     0.02   0.01  -0.00
    44   6     0.00   0.00   0.00    -0.03  -0.00  -0.01     0.04   0.00   0.01
    45   6    -0.01  -0.00  -0.00     0.05   0.00   0.02    -0.07  -0.00  -0.02
    46   6    -0.00   0.00  -0.00    -0.05   0.08  -0.03    -0.02   0.04  -0.01
    47   6     0.00  -0.00  -0.00     0.03  -0.04   0.01     0.01  -0.02   0.01
    48   6     0.00  -0.00   0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    49   6    -0.00   0.00   0.00    -0.07   0.06   0.00    -0.04   0.03   0.00
    50   6    -0.00   0.00   0.00    -0.07   0.07   0.00    -0.04   0.03   0.00
    51   6     0.00  -0.00  -0.00     0.02  -0.02   0.00     0.01  -0.01   0.00
    52   6     0.00  -0.00  -0.00     0.04  -0.02  -0.01     0.02  -0.01  -0.01
    53   6    -0.00   0.00   0.00    -0.08   0.04   0.03    -0.04   0.02   0.02
    54   6     0.09   0.06   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    55   6    -0.05  -0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    56   6    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    57   6     0.11   0.04   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.00
    58   6     0.11   0.04   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    59   6    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6    -0.06  -0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    61   6     0.11   0.01  -0.03     0.00   0.00  -0.00    -0.01   0.00   0.00
    62   1     0.00  -0.02  -0.00     0.04  -0.18  -0.02     0.01  -0.11  -0.01
    63   1    -0.00   0.01  -0.00     0.06  -0.09  -0.01     0.03  -0.14  -0.01
    64   1     0.00   0.01   0.00     0.14  -0.00   0.02     0.17  -0.03   0.01
    65   1    -0.02  -0.01  -0.00    -0.06  -0.08  -0.02     0.09   0.16   0.02
    66   1     0.04  -0.01  -0.00    -0.05   0.02   0.02     0.27  -0.07  -0.04
    67   1    -0.01  -0.00   0.00    -0.03   0.01  -0.01     0.05   0.07   0.02
    68   1    -0.02   0.04   0.01     0.01  -0.02  -0.00     0.04  -0.01   0.00
    69   1    -0.10  -0.01  -0.01    -0.00   0.00  -0.00    -0.05   0.00   0.00
    70   1    -0.08  -0.16   0.02    -0.01  -0.01   0.00     0.02   0.03  -0.00
    71   1    -0.32   0.07  -0.03    -0.01   0.00  -0.00    -0.06   0.00  -0.00
    72   1    -0.00  -0.01   0.01     0.00   0.09  -0.08     0.01  -0.15   0.14
    73   1     0.01   0.01  -0.01    -0.13  -0.16   0.12     0.21   0.26  -0.19
    74   1     0.01   0.00   0.00    -0.14  -0.03  -0.03     0.23   0.04   0.04
    75   1    -0.01   0.00  -0.01     0.11  -0.02   0.08    -0.17   0.04  -0.12
    76   1    -0.01  -0.01   0.01     0.07   0.08  -0.07    -0.10  -0.11   0.10
    77   1     0.01   0.00  -0.00    -0.13  -0.06   0.02     0.18   0.09  -0.04
    78   1     0.02  -0.00   0.01    -0.20   0.05  -0.12     0.31  -0.08   0.18
    79   1    -0.01   0.00  -0.00     0.05  -0.07   0.08    -0.07   0.12  -0.13
    80   1    -0.00   0.00  -0.00     0.05   0.13  -0.14     0.04   0.07  -0.09
    81   1     0.00  -0.01   0.00     0.10  -0.32   0.19     0.05  -0.18   0.11
    82   1     0.00  -0.00  -0.00     0.20  -0.13  -0.05     0.11  -0.07  -0.03
    83   1    -0.00   0.00   0.00    -0.17   0.03   0.14    -0.10   0.01   0.07
    84   1    -0.00   0.00  -0.00    -0.06   0.17  -0.12    -0.03   0.08  -0.06
    85   1     0.00  -0.00   0.00     0.16  -0.19   0.04     0.08  -0.09   0.02
    86   1     0.01  -0.00  -0.00     0.32  -0.06  -0.20     0.17  -0.03  -0.11
    87   1    -0.00  -0.00   0.00    -0.12  -0.08   0.15    -0.06  -0.05   0.08
    88   1     0.02   0.13   0.14     0.00   0.00  -0.00     0.00  -0.01  -0.01
    89   1    -0.24  -0.27  -0.24    -0.00  -0.00  -0.00     0.02   0.02   0.02
    90   1    -0.26  -0.06   0.03    -0.00  -0.00   0.00     0.02   0.00  -0.00
    91   1     0.20  -0.02  -0.14     0.00   0.00  -0.00    -0.01   0.00   0.00
    92   1     0.14   0.15   0.17     0.00   0.00   0.00    -0.01  -0.01  -0.01
    93   1    -0.24  -0.11  -0.05    -0.00  -0.00  -0.00     0.02   0.01   0.00
    94   1    -0.37   0.06   0.22    -0.00   0.00   0.00     0.03  -0.01  -0.02
    95   1     0.11  -0.08  -0.13     0.00  -0.00  -0.00    -0.01   0.01   0.02
    96  17     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                    163                    164                    165
                      A                      A                      A
 Frequencies --   1148.6269              1149.2430              1149.2921
 Red. masses --      1.5146                 1.5296                 1.5306
 Frc consts  --      1.1774                 1.1903                 1.1912
 IR Inten    --      6.2085                 6.3342                 4.4370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    18   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   7     0.02   0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    24   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.03  -0.03
    25   7    -0.00   0.00   0.00    -0.01   0.03   0.03    -0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.06  -0.02  -0.00
    27   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.04   0.03
    28   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.02  -0.03   0.04
    29   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.06   0.02   0.00
    30   6     0.04  -0.04  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   6    -0.01  -0.04   0.04     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   6    -0.03  -0.02   0.04     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   6    -0.04   0.04   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.00    -0.01  -0.00  -0.00
    35   6     0.00  -0.00  -0.00    -0.00  -0.04  -0.04    -0.00  -0.00  -0.01
    36   6     0.00  -0.00  -0.00     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    37   6     0.00   0.00  -0.00     0.06   0.02   0.00     0.01   0.00   0.00
    38   6    -0.00  -0.00   0.00     0.00   0.01  -0.01    -0.04  -0.06   0.04
    39   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.03
    40   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.03   0.00   0.00
    41   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.06  -0.00  -0.01
    42   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.06   0.04  -0.01
    43   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
    44   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.04   0.03  -0.04
    45   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.07  -0.02   0.05
    46   6     0.02  -0.07   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   6     0.00   0.04  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    48   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    49   6     0.06  -0.03  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6    -0.04   0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    51   6     0.02  -0.03   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    52   6     0.04   0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    53   6    -0.07   0.01   0.05    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.04  -0.05  -0.05    -0.01  -0.01  -0.01
    55   6     0.00   0.00   0.00     0.01   0.04   0.04     0.00   0.01   0.01
    56   6     0.00   0.00   0.00     0.03   0.01  -0.00     0.00   0.00  -0.00
    57   6    -0.00  -0.00   0.00    -0.07  -0.01   0.01    -0.01  -0.00   0.00
    58   6     0.00   0.00   0.00     0.05   0.03   0.02     0.01   0.00   0.00
    59   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.01    -0.00  -0.00  -0.00
    60   6    -0.00   0.00   0.00    -0.03   0.02   0.04    -0.00   0.00   0.01
    61   6     0.00  -0.00  -0.00     0.07  -0.02  -0.05     0.01  -0.00  -0.01
    62   1     0.01  -0.02   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    63   1     0.01  -0.02  -0.00     0.01  -0.01   0.00    -0.01   0.02   0.00
    64   1    -0.05   0.01   0.02    -0.03   0.01  -0.00     0.04  -0.01   0.00
    65   1    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.02  -0.02   0.02
    66   1    -0.01   0.00   0.00    -0.02   0.00  -0.00     0.05  -0.01   0.02
    67   1     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.01
    68   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    69   1     0.00  -0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00   0.00
    70   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00
    71   1     0.00  -0.00  -0.00     0.03  -0.00  -0.02     0.00  -0.00  -0.00
    72   1     0.00  -0.01   0.01    -0.00   0.02  -0.02     0.04  -0.16   0.16
    73   1     0.01   0.02  -0.01    -0.02  -0.03   0.02     0.17   0.26  -0.20
    74   1     0.02   0.00   0.00    -0.04  -0.01  -0.01     0.33   0.06   0.06
    75   1    -0.01   0.01  -0.01     0.03  -0.02   0.03    -0.21   0.15  -0.24
    76   1     0.00   0.01  -0.01    -0.01  -0.03   0.03     0.09   0.25  -0.24
    77   1    -0.01  -0.00   0.00     0.04   0.02  -0.01    -0.31  -0.16   0.06
    78   1    -0.01   0.00  -0.00     0.05  -0.02   0.03    -0.33   0.12  -0.23
    79   1     0.00  -0.00   0.00    -0.01   0.03  -0.03     0.07  -0.17   0.18
    80   1    -0.09  -0.13   0.18     0.00   0.00  -0.00    -0.00   0.00   0.00
    81   1    -0.06   0.31  -0.21     0.00  -0.01   0.00    -0.00  -0.00   0.00
    82   1    -0.29   0.19   0.07     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    83   1     0.25   0.05  -0.26    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    84   1     0.01   0.26  -0.25    -0.00   0.00  -0.00     0.00  -0.01   0.01
    85   1     0.23  -0.28   0.06     0.00  -0.00   0.00    -0.01   0.02  -0.00
    86   1     0.32  -0.02  -0.23     0.01  -0.00  -0.00    -0.02   0.00   0.02
    87   1    -0.12  -0.12   0.19    -0.00  -0.00   0.00     0.01   0.01  -0.02
    88   1     0.00  -0.00  -0.00     0.04  -0.14  -0.19     0.01  -0.02  -0.03
    89   1     0.00   0.00   0.00     0.18   0.26   0.25     0.02   0.04   0.03
    90   1     0.00   0.00  -0.00     0.34   0.07  -0.05     0.05   0.01  -0.01
    91   1    -0.00   0.00   0.00    -0.22   0.12   0.26    -0.03   0.02   0.03
    92   1     0.00   0.00   0.00     0.08   0.23   0.28     0.01   0.03   0.04
    93   1    -0.00  -0.00  -0.00    -0.31  -0.16  -0.08    -0.04  -0.02  -0.01
    94   1    -0.00   0.00   0.00    -0.31   0.09   0.22    -0.04   0.01   0.03
    95   1     0.00  -0.00  -0.00     0.07  -0.13  -0.19     0.01  -0.02  -0.02
    96  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    166                    167                    168
                      A                      A                      A
 Frequencies --   1152.1694              1172.1627              1176.1248
 Red. masses --      1.8077                 1.4375                 1.4431
 Frc consts  --      1.4139                 1.1637                 1.1761
 IR Inten    --     49.5016                90.9728                 9.2552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.00     0.02   0.00  -0.00     0.01   0.00  -0.00
     2   6    -0.08  -0.02  -0.00    -0.03  -0.02  -0.00    -0.01  -0.01  -0.00
     3   6     0.06   0.03   0.00    -0.00  -0.06  -0.00    -0.01  -0.02  -0.00
     4   6     0.04   0.08   0.00     0.04  -0.01   0.00     0.01   0.02   0.00
     5   6    -0.10  -0.01   0.00    -0.03   0.03   0.00    -0.01   0.00   0.00
     6   6     0.06  -0.04  -0.00     0.03  -0.02  -0.00     0.01  -0.01  -0.00
     7   6     0.04  -0.05  -0.00    -0.02  -0.00   0.00    -0.01  -0.01  -0.00
     8   6     0.00  -0.08  -0.01    -0.06   0.04   0.00    -0.02   0.03   0.00
     9   6    -0.03  -0.04  -0.00    -0.01   0.05   0.00     0.00   0.02   0.00
    10   6    -0.02   0.07   0.00    -0.02   0.01   0.00     0.02   0.03   0.00
    11   6    -0.05   0.03   0.00     0.04  -0.03  -0.00     0.01  -0.01  -0.00
    12   6    -0.00  -0.01   0.00     0.01   0.02  -0.00     0.01   0.01  -0.00
    13   6     0.04   0.01   0.00    -0.02  -0.00  -0.00    -0.01  -0.01  -0.00
    14   6    -0.06   0.05   0.00     0.03  -0.01   0.00     0.02  -0.01  -0.00
    15   7    -0.00  -0.01  -0.00     0.06  -0.01   0.00    -0.02  -0.03  -0.00
    16   6     0.03   0.01   0.00    -0.01  -0.03  -0.00     0.01   0.04   0.00
    17   6     0.02  -0.01  -0.00    -0.04   0.00  -0.00    -0.01   0.03   0.00
    18   7    -0.01  -0.00  -0.00     0.01  -0.01  -0.00     0.01  -0.05  -0.00
    19   6    -0.01  -0.00  -0.00     0.04   0.03   0.00    -0.02  -0.02  -0.00
    20   6    -0.00   0.01   0.00    -0.04  -0.03  -0.00     0.02   0.03   0.00
    21   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.07  -0.02  -0.00
    22   6     0.00  -0.00   0.00     0.00   0.03   0.00    -0.02  -0.04  -0.00
    23   7     0.01  -0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   7     0.02   0.01   0.01    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    25   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   6     0.02   0.02  -0.01    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    27   6    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    30   6     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.00
    31   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   6    -0.01   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    33   6     0.00   0.00  -0.00    -0.02   0.00   0.01    -0.01   0.00   0.01
    34   6    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.04   0.04   0.03
    35   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    36   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.07  -0.01  -0.03
    38   6     0.01   0.02  -0.01     0.00  -0.01   0.01     0.00  -0.00   0.00
    39   6    -0.01  -0.01   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    40   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    41   6     0.02   0.00   0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    42   6     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    43   6    -0.00  -0.01   0.01     0.00   0.01  -0.01    -0.00   0.00  -0.00
    44   6    -0.01   0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
    45   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    46   6     0.00  -0.02   0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    47   6    -0.00   0.01  -0.01     0.00  -0.01   0.00     0.00  -0.00   0.00
    48   6    -0.01   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    49   6     0.02  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.00   0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    52   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    53   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    55   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02
    56   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00   0.02   0.02
    57   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.02  -0.00  -0.01
    58   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.01
    59   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.01  -0.02
    60   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02   0.01   0.02
    61   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02
    62   1    -0.07  -0.04   0.00    -0.07   0.12   0.01    -0.03   0.06   0.00
    63   1    -0.19   0.24  -0.00    -0.16   0.42   0.01    -0.04   0.09   0.00
    64   1     0.68  -0.17   0.03     0.36  -0.09   0.02     0.12  -0.04   0.00
    65   1    -0.07   0.01  -0.01     0.10   0.03   0.01     0.04   0.02   0.00
    66   1     0.42  -0.05  -0.03    -0.32   0.05   0.02    -0.18   0.02   0.01
    67   1    -0.10   0.01   0.01     0.15   0.11  -0.00     0.06   0.03   0.00
    68   1     0.02  -0.02   0.01     0.14  -0.06  -0.01     0.02  -0.06  -0.01
    69   1    -0.07   0.01   0.00     0.37  -0.01  -0.01    -0.28   0.01   0.01
    70   1     0.03   0.04  -0.00    -0.30  -0.35   0.00     0.32   0.41  -0.00
    71   1    -0.04   0.00  -0.00     0.05   0.03   0.01     0.27  -0.08   0.01
    72   1    -0.03   0.06  -0.07     0.03  -0.04   0.05     0.01  -0.02   0.02
    73   1    -0.07  -0.10   0.07     0.04   0.06  -0.04     0.02   0.03  -0.02
    74   1    -0.09  -0.01  -0.02     0.02  -0.00   0.01     0.00  -0.00   0.00
    75   1     0.06  -0.03   0.06    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    76   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.01
    77   1    -0.04  -0.03   0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    78   1    -0.07   0.02  -0.04     0.07  -0.02   0.05     0.03  -0.01   0.02
    79   1    -0.00  -0.07   0.07     0.01   0.08  -0.07     0.00   0.03  -0.03
    80   1    -0.04  -0.04   0.07     0.05   0.02  -0.06     0.03   0.01  -0.04
    81   1    -0.02   0.10  -0.07     0.02  -0.07   0.04     0.01  -0.05   0.03
    82   1    -0.07   0.04   0.02    -0.02   0.02   0.00    -0.03   0.02   0.00
    83   1     0.06   0.01  -0.06     0.02   0.01  -0.02     0.02   0.01  -0.02
    84   1     0.00  -0.02   0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    85   1    -0.03   0.05  -0.01    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    86   1    -0.06   0.01   0.04     0.07  -0.01  -0.05     0.05  -0.01  -0.03
    87   1     0.02   0.07  -0.08    -0.01  -0.04   0.04    -0.01  -0.03   0.03
    88   1     0.01  -0.01  -0.02    -0.01   0.01   0.02    -0.17   0.15   0.24
    89   1     0.02   0.02   0.02    -0.03  -0.04  -0.03    -0.16  -0.21  -0.20
    90   1     0.02   0.00  -0.00     0.04   0.01  -0.00     0.05   0.03   0.01
    91   1    -0.01   0.00   0.01    -0.01   0.02   0.02    -0.01   0.02   0.04
    92   1     0.00   0.01   0.01    -0.00  -0.02  -0.03     0.01  -0.01  -0.03
    93   1    -0.01  -0.01  -0.00     0.04   0.02   0.01     0.06   0.01  -0.00
    94   1    -0.00   0.00   0.00    -0.03   0.01   0.02    -0.27   0.07   0.18
    95   1     0.00   0.00  -0.00    -0.00  -0.02  -0.02    -0.02  -0.20  -0.24
    96  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    169                    170                    171
                      A                      A                      A
 Frequencies --   1181.2626              1182.6081              1183.9719
 Red. masses --      1.1833                 1.1820                 1.1851
 Frc consts  --      0.9728                 0.9740                 0.9788
 IR Inten    --     31.6005                22.5580                 5.0687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.02   0.00    -0.00  -0.02  -0.00
     4   6    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01   0.00   0.00
     5   6     0.02  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     6   6    -0.00   0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02   0.03   0.00
     9   6    -0.01   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.01   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    11   6     0.00   0.00   0.00    -0.01   0.01   0.00     0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.01   0.01  -0.00
    13   6     0.01   0.00   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    14   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.03  -0.01   0.00
    15   7     0.01   0.01   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
    16   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.02   0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    18   7     0.01   0.00   0.00     0.01   0.01   0.00    -0.00  -0.02  -0.00
    19   6     0.02   0.02   0.00     0.02   0.02   0.00    -0.01  -0.02  -0.00
    20   6    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.01  -0.00
    21   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.01   0.00
    22   6    -0.01   0.01  -0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
    23   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.01   0.00
    24   7     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.00  -0.00
    25   7    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    26   6    -0.00  -0.00   0.00     0.02   0.02  -0.01     0.00   0.00  -0.00
    27   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.01   0.01  -0.01
    28   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.01   0.01
    29   6    -0.00   0.00  -0.00     0.03  -0.01   0.01     0.02  -0.00   0.01
    30   6     0.01  -0.03   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    31   6    -0.01  -0.01   0.01     0.00   0.00  -0.01    -0.01  -0.00   0.01
    32   6     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01  -0.01
    33   6     0.03  -0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    34   6     0.02   0.01   0.01     0.01   0.01   0.01    -0.01  -0.01  -0.01
    35   6    -0.00   0.01   0.01    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    37   6     0.02  -0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.00   0.00
    38   6     0.00   0.00   0.00    -0.02   0.00  -0.01    -0.01   0.00  -0.00
    39   6     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
    40   6    -0.00  -0.00  -0.00     0.03   0.01  -0.00     0.03   0.01   0.00
    41   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    42   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
    43   6    -0.00  -0.00  -0.00     0.03   0.01   0.00     0.03   0.01  -0.00
    44   6     0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    45   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    46   6    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6    -0.01   0.03  -0.02     0.00  -0.01   0.01    -0.01   0.01  -0.01
    48   6     0.02  -0.03   0.00    -0.01   0.01   0.00     0.02  -0.01  -0.00
    49   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    50   6     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01  -0.01
    51   6     0.03  -0.02  -0.00    -0.01   0.01   0.00     0.01  -0.01   0.00
    52   6    -0.03   0.01   0.02     0.01  -0.00  -0.01    -0.01   0.00   0.01
    53   6    -0.00   0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00  -0.00
    54   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    55   6    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.01   0.01   0.01
    56   6     0.02   0.01   0.00     0.02   0.01   0.00    -0.02  -0.00   0.00
    57   6    -0.00   0.00   0.00    -0.01   0.00   0.01     0.01  -0.00  -0.01
    58   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    59   6     0.02   0.00  -0.00     0.02   0.01   0.00    -0.02  -0.01  -0.00
    60   6    -0.02   0.00   0.01    -0.02   0.00   0.01     0.02  -0.00  -0.01
    61   6    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    62   1     0.02  -0.07  -0.01     0.00   0.01   0.01    -0.02   0.02  -0.00
    63   1     0.05  -0.11  -0.00     0.03  -0.11  -0.00    -0.04   0.11   0.00
    64   1    -0.02   0.02   0.01    -0.11   0.03  -0.01     0.13  -0.03   0.01
    65   1     0.01   0.01  -0.00     0.03   0.06   0.01     0.07   0.05   0.01
    66   1     0.06  -0.01  -0.00     0.16  -0.03  -0.02    -0.20   0.02   0.00
    67   1    -0.00   0.01   0.00    -0.01  -0.01   0.00     0.10   0.07   0.00
    68   1     0.03  -0.01   0.00     0.01   0.01   0.00     0.04  -0.04  -0.01
    69   1     0.17  -0.00  -0.00     0.17  -0.00  -0.00    -0.14   0.00  -0.00
    70   1    -0.11  -0.12  -0.00    -0.11  -0.13  -0.00     0.10   0.12   0.01
    71   1     0.03   0.01   0.01    -0.01   0.01   0.01     0.02  -0.02  -0.01
    72   1     0.00  -0.00   0.01    -0.11   0.12  -0.15    -0.08   0.08  -0.10
    73   1     0.01   0.01  -0.01    -0.17  -0.24   0.17    -0.14  -0.19   0.14
    74   1    -0.02  -0.00  -0.00     0.30   0.06   0.05     0.33   0.06   0.06
    75   1     0.01  -0.01   0.01    -0.10   0.11  -0.15    -0.11   0.12  -0.17
    76   1     0.00   0.01  -0.01    -0.02  -0.14   0.14    -0.02  -0.14   0.14
    77   1    -0.02  -0.01   0.00     0.25   0.12  -0.04     0.25   0.13  -0.04
    78   1     0.02  -0.01   0.01    -0.24   0.08  -0.15    -0.17   0.05  -0.10
    79   1     0.00   0.01  -0.01    -0.02  -0.15   0.14    -0.01  -0.07   0.06
    80   1    -0.15  -0.06   0.17     0.05   0.02  -0.05    -0.05  -0.02   0.05
    81   1    -0.08   0.29  -0.19     0.03  -0.10   0.07    -0.04   0.13  -0.08
    82   1     0.28  -0.20  -0.06    -0.11   0.08   0.02     0.16  -0.11  -0.04
    83   1    -0.15  -0.06   0.18     0.06   0.02  -0.07    -0.08  -0.04   0.10
    84   1     0.04   0.15  -0.17    -0.02  -0.06   0.07     0.02   0.09  -0.10
    85   1     0.22  -0.25   0.04    -0.09   0.10  -0.02     0.12  -0.14   0.03
    86   1    -0.28   0.04   0.19     0.11  -0.01  -0.07    -0.12   0.02   0.08
    87   1     0.04   0.15  -0.15    -0.01  -0.06   0.06     0.01   0.05  -0.05
    88   1    -0.06   0.05   0.08    -0.04   0.04   0.06     0.03  -0.03  -0.04
    89   1    -0.09  -0.11  -0.11    -0.08  -0.10  -0.09     0.07   0.09   0.08
    90   1     0.17   0.04  -0.02     0.19   0.04  -0.03    -0.21  -0.04   0.03
    91   1    -0.06   0.05   0.09    -0.07   0.06   0.11     0.08  -0.06  -0.11
    92   1    -0.01  -0.08  -0.11    -0.01  -0.10  -0.12     0.01   0.11   0.14
    93   1     0.17   0.08   0.04     0.20   0.10   0.04    -0.22  -0.11  -0.05
    94   1    -0.17   0.04   0.11    -0.16   0.04   0.10     0.17  -0.03  -0.10
    95   1    -0.01  -0.09  -0.10    -0.01  -0.08  -0.09     0.01   0.07   0.08
    96  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    172                    173                    174
                      A                      A                      A
 Frequencies --   1188.7508              1189.1948              1189.2383
 Red. masses --      1.1054                 1.1096                 1.1089
 Frc consts  --      0.9203                 0.9245                 0.9240
 IR Inten    --      0.0407                 0.2181                 0.2639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    19   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   7    -0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   7     0.00  -0.00   0.00     0.00  -0.02   0.02     0.00   0.00  -0.00
    25   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.02
    26   6     0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00  -0.00
    27   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.00     0.01   0.00   0.00
    30   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   6    -0.01  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
    35   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.03   0.00  -0.00
    38   6     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
    39   6     0.00   0.00  -0.00     0.02   0.03  -0.02    -0.00  -0.01   0.00
    40   6    -0.00  -0.00  -0.00    -0.03  -0.01   0.00     0.01   0.00  -0.00
    41   6     0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    42   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    43   6     0.00  -0.00   0.00     0.04   0.01  -0.00    -0.01  -0.00   0.00
    44   6    -0.00   0.00  -0.00    -0.03   0.01  -0.02     0.01  -0.00   0.00
    45   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    46   6    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6    -0.01   0.03  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    48   6     0.03  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    49   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    50   6     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    51   6    -0.03   0.03  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    52   6     0.03  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
    53   6     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    54   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    55   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.03
    56   6     0.00   0.00   0.00     0.01   0.00   0.00     0.04   0.01   0.00
    57   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    58   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    59   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.03  -0.01  -0.00
    60   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.03  -0.01  -0.02
    61   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    62   1    -0.00   0.01  -0.01    -0.00   0.01   0.00     0.00  -0.01  -0.00
    63   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.03  -0.00
    64   1     0.02  -0.00  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.00
    65   1     0.00   0.00   0.00     0.02   0.02  -0.01    -0.00  -0.00   0.00
    66   1    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.04  -0.01   0.00
    67   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    68   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   1    -0.00   0.00   0.00     0.01  -0.00   0.00     0.02  -0.00   0.00
    70   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.02  -0.03  -0.01
    71   1     0.00  -0.00   0.00     0.01  -0.00  -0.00     0.03  -0.01  -0.01
    72   1     0.00  -0.00   0.00     0.12  -0.13   0.17    -0.02   0.03  -0.03
    73   1     0.01   0.01  -0.01     0.21   0.29  -0.21    -0.04  -0.05   0.04
    74   1    -0.01  -0.00  -0.00    -0.37  -0.07  -0.06     0.06   0.01   0.01
    75   1     0.00  -0.00   0.01     0.09  -0.09   0.13    -0.01   0.01  -0.02
    76   1     0.00   0.00  -0.00    -0.03  -0.16   0.16     0.01   0.04  -0.04
    77   1     0.00   0.00   0.00     0.40   0.20  -0.07    -0.09  -0.04   0.01
    78   1    -0.01   0.00  -0.00    -0.38   0.12  -0.24     0.07  -0.02   0.05
    79   1    -0.00  -0.00   0.00    -0.02  -0.20   0.19     0.00   0.04  -0.03
    80   1    -0.17  -0.07   0.19     0.01   0.00  -0.01    -0.00   0.00   0.00
    81   1    -0.09   0.37  -0.24     0.00  -0.00   0.00     0.00  -0.01   0.00
    82   1     0.33  -0.22  -0.07     0.01  -0.00  -0.00    -0.01   0.01   0.00
    83   1    -0.12  -0.05   0.14    -0.00  -0.00   0.01     0.01   0.00  -0.01
    84   1    -0.03  -0.14   0.16     0.00   0.01  -0.01    -0.00  -0.01   0.01
    85   1    -0.28   0.33  -0.06     0.01  -0.02   0.00    -0.01   0.01  -0.00
    86   1     0.38  -0.05  -0.26    -0.01   0.00   0.01     0.00  -0.00  -0.00
    87   1    -0.05  -0.18   0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    88   1    -0.00   0.00   0.00    -0.03   0.02   0.04    -0.14   0.12   0.20
    89   1    -0.00  -0.00  -0.00    -0.04  -0.06  -0.05    -0.22  -0.29  -0.27
    90   1     0.00   0.00  -0.00     0.07   0.02  -0.01     0.42   0.09  -0.05
    91   1    -0.00  -0.00   0.00    -0.02   0.01   0.03    -0.11   0.08   0.16
    92   1     0.00   0.00   0.00     0.00   0.03   0.03     0.02   0.12   0.15
    93   1    -0.00  -0.00  -0.00    -0.08  -0.04  -0.02    -0.35  -0.17  -0.08
    94   1     0.00  -0.00  -0.00     0.07  -0.02  -0.05     0.35  -0.08  -0.23
    95   1     0.00   0.00   0.00     0.00   0.03   0.04     0.02   0.16   0.19
    96  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    175                    176                    177
                      A                      A                      A
 Frequencies --   1195.8137              1203.6682              1208.9040
 Red. masses --      1.5276                 1.9186                 1.8992
 Frc consts  --      1.2870                 1.6378                 1.6353
 IR Inten    --     11.0903                 7.4318                 6.8817
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.11  -0.08  -0.00     0.06  -0.03  -0.00
     2   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.01   0.01   0.00
     3   6    -0.01  -0.02  -0.00     0.00   0.02   0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.00
     5   6    -0.00   0.02   0.00    -0.05  -0.01  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.00     0.00  -0.02  -0.00
     7   6    -0.01   0.01   0.00     0.00   0.04   0.00     0.01   0.02   0.00
     8   6     0.03   0.03   0.00     0.00   0.01   0.00     0.04  -0.06  -0.00
     9   6     0.02  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.03  -0.00
    10   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00    -0.02   0.01   0.00
    12   6     0.03   0.01   0.00    -0.07  -0.03  -0.00     0.12   0.01   0.00
    13   6    -0.02  -0.01  -0.00     0.00   0.00   0.00     0.03   0.05   0.00
    14   6     0.02   0.00   0.00     0.01  -0.03  -0.00    -0.08   0.02   0.00
    15   7    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    16   6     0.00   0.02   0.00     0.00   0.00   0.00     0.00  -0.02  -0.00
    17   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    18   7    -0.02   0.01   0.00    -0.01  -0.00  -0.00     0.00   0.01   0.00
    19   6    -0.03  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.00
    20   6     0.03   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.08   0.04   0.00     0.01   0.00   0.00    -0.02  -0.02  -0.00
    22   6     0.03  -0.02  -0.00     0.00  -0.00   0.00    -0.01   0.02   0.00
    23   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    24   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    25   7    -0.02  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.02  -0.01   0.01     0.04   0.03  -0.02    -0.05  -0.04   0.02
    27   6    -0.01   0.00  -0.00     0.03  -0.00   0.01    -0.05   0.01  -0.02
    28   6    -0.01  -0.01   0.00     0.02   0.02  -0.01    -0.04  -0.03   0.01
    29   6    -0.02   0.00  -0.01     0.05  -0.00   0.01    -0.09   0.01  -0.03
    30   6    -0.00   0.00  -0.00    -0.04   0.07  -0.03    -0.02   0.03  -0.01
    31   6    -0.00   0.00   0.00    -0.05   0.02   0.02    -0.02   0.01   0.01
    32   6    -0.00   0.00  -0.00    -0.02   0.04  -0.02    -0.01   0.02  -0.01
    33   6    -0.01   0.00   0.00    -0.09   0.03   0.03    -0.04   0.01   0.02
    34   6    -0.05  -0.04  -0.03    -0.00  -0.00  -0.00     0.02   0.01   0.01
    35   6    -0.03   0.00   0.01    -0.00   0.00   0.00     0.01   0.00  -0.00
    36   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.01   0.01   0.01
    37   6    -0.06   0.00   0.02    -0.00   0.00   0.00     0.02   0.00  -0.00
    38   6     0.01  -0.00   0.01    -0.02   0.01  -0.01     0.05  -0.01   0.02
    39   6    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    40   6     0.01  -0.00   0.01    -0.02   0.01  -0.02     0.04  -0.02   0.03
    41   6    -0.00   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.03  -0.03
    42   6     0.00  -0.01   0.01    -0.00   0.02  -0.02     0.01  -0.03   0.03
    43   6     0.01   0.01  -0.01    -0.01  -0.02   0.02     0.01   0.03  -0.02
    44   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00  -0.02   0.02
    45   6     0.01   0.01  -0.01    -0.02  -0.02   0.01     0.02   0.03  -0.02
    46   6     0.00  -0.00  -0.00     0.05  -0.01  -0.03     0.02  -0.01  -0.01
    47   6    -0.00   0.00   0.00    -0.02  -0.01   0.02    -0.01  -0.00   0.01
    48   6     0.01  -0.00  -0.00     0.04  -0.00  -0.03     0.02   0.00  -0.01
    49   6    -0.00  -0.00   0.00    -0.02  -0.02   0.04    -0.01  -0.01   0.02
    50   6     0.00   0.00  -0.00     0.02   0.03  -0.04     0.01   0.01  -0.01
    51   6     0.00  -0.01   0.00     0.01  -0.04   0.03     0.00  -0.01   0.01
    52   6    -0.00   0.00  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    53   6     0.00  -0.00   0.00     0.01  -0.04   0.03     0.01  -0.02   0.01
    54   6     0.02  -0.01  -0.02     0.00  -0.00  -0.00    -0.01   0.00   0.01
    55   6    -0.02   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6     0.05  -0.01  -0.03     0.00  -0.00  -0.00    -0.01   0.00   0.01
    57   6    -0.02   0.02   0.03    -0.00   0.00   0.00     0.00  -0.01  -0.01
    58   6    -0.00  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.01   0.01
    59   6     0.03   0.03   0.03     0.00   0.00   0.00    -0.00  -0.01  -0.01
    60   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6     0.02   0.02   0.02     0.00   0.00   0.00    -0.01  -0.01  -0.01
    62   1    -0.00   0.00  -0.00    -0.08   0.28   0.02    -0.02   0.10  -0.00
    63   1    -0.07   0.22   0.00    -0.10   0.12   0.01    -0.06   0.13   0.00
    64   1     0.13  -0.04   0.01    -0.11  -0.01  -0.00    -0.09  -0.01  -0.00
    65   1    -0.05  -0.07  -0.00     0.07   0.09   0.01    -0.29  -0.31  -0.02
    66   1    -0.24   0.03   0.01     0.16  -0.03  -0.01     0.19   0.02  -0.01
    67   1     0.03   0.01  -0.00    -0.03  -0.08  -0.00    -0.25  -0.15  -0.01
    68   1    -0.06   0.02  -0.00    -0.01   0.01   0.00    -0.10   0.07   0.01
    69   1    -0.32   0.00   0.00    -0.02   0.00   0.00     0.06   0.01   0.00
    70   1     0.15   0.15  -0.01    -0.00  -0.00  -0.00    -0.04  -0.05   0.00
    71   1    -0.26   0.02  -0.01    -0.01   0.00  -0.00     0.07   0.01   0.00
    72   1     0.03  -0.03   0.04    -0.10   0.09  -0.12     0.18  -0.16   0.21
    73   1     0.00   0.01  -0.01    -0.01  -0.03   0.03     0.01   0.04  -0.04
    74   1     0.08   0.01   0.02    -0.16  -0.01  -0.04     0.27   0.02   0.07
    75   1    -0.03   0.04  -0.05     0.07  -0.08   0.10    -0.11   0.13  -0.17
    76   1    -0.00  -0.05   0.04     0.01   0.11  -0.11    -0.01  -0.16   0.17
    77   1     0.07   0.04  -0.02    -0.16  -0.10   0.04     0.20   0.12  -0.06
    78   1     0.00  -0.01   0.01    -0.02   0.02  -0.02     0.06  -0.04   0.05
    79   1     0.01   0.05  -0.04    -0.02  -0.13   0.11     0.04   0.19  -0.17
    80   1     0.01   0.00  -0.01     0.22   0.07  -0.23     0.10   0.03  -0.11
    81   1    -0.00   0.01  -0.01    -0.00  -0.05   0.05    -0.00  -0.02   0.02
    82   1     0.05  -0.03  -0.01     0.28  -0.16  -0.09     0.12  -0.07  -0.04
    83   1    -0.02  -0.01   0.03    -0.17  -0.09   0.21    -0.07  -0.04   0.09
    84   1     0.01   0.02  -0.03     0.06   0.18  -0.20     0.03   0.07  -0.08
    85   1     0.03  -0.04   0.01     0.17  -0.24   0.07     0.05  -0.08   0.02
    86   1    -0.01   0.00   0.00     0.07   0.01  -0.06     0.04   0.00  -0.03
    87   1    -0.00  -0.01   0.01    -0.04  -0.22   0.22    -0.02  -0.10   0.10
    88   1     0.08  -0.07  -0.11     0.01  -0.01  -0.01    -0.04   0.03   0.05
    89   1    -0.04  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.02  -0.02
    90   1     0.41   0.06  -0.08     0.02   0.00  -0.00    -0.05  -0.01   0.01
    91   1    -0.15   0.13   0.23    -0.01   0.01   0.01     0.03  -0.02  -0.04
    92   1    -0.02  -0.18  -0.22    -0.00  -0.01  -0.01     0.00   0.04   0.04
    93   1     0.31   0.18   0.10     0.01   0.01   0.00    -0.06  -0.03  -0.02
    94   1    -0.03  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    95   1     0.02   0.13   0.15     0.00   0.01   0.01    -0.01  -0.05  -0.06
    96  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
                    178                    179                    180
                      A                      A                      A
 Frequencies --   1242.2052              1248.1463              1249.5527
 Red. masses --      2.5662                 2.4173                 2.7122
 Frc consts  --      2.3330                 2.2188                 2.4950
 IR Inten    --    266.9337                11.4385               124.9234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
     2   6     0.05  -0.02   0.00     0.03  -0.01   0.00    -0.03   0.01  -0.00
     3   6    -0.06  -0.00  -0.00    -0.05  -0.03  -0.00     0.03   0.02   0.00
     4   6    -0.07  -0.03  -0.00    -0.05  -0.04  -0.00     0.04   0.02   0.00
     5   6     0.02   0.05   0.00     0.02   0.03   0.00    -0.01  -0.03  -0.00
     6   6     0.02  -0.01   0.00     0.02  -0.00   0.00    -0.01   0.00  -0.00
     7   6    -0.01   0.04   0.00    -0.01   0.06   0.00    -0.00  -0.04  -0.00
     8   6     0.06   0.03   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   6     0.04  -0.09  -0.00     0.00   0.00   0.00    -0.00   0.02   0.00
    10   6    -0.00  -0.05  -0.00    -0.02  -0.02  -0.00     0.01   0.02   0.00
    11   6     0.00   0.02   0.00     0.02   0.01  -0.00    -0.01  -0.02  -0.00
    12   6    -0.02  -0.01   0.00    -0.01   0.02   0.01     0.00   0.02   0.01
    13   6    -0.03  -0.02  -0.00     0.02   0.01  -0.00     0.01  -0.00  -0.00
    14   6     0.04   0.01   0.00    -0.02  -0.03  -0.00    -0.00   0.01  -0.00
    15   7    -0.07   0.04  -0.00     0.02   0.01   0.00     0.00  -0.01  -0.00
    16   6     0.07  -0.07  -0.00    -0.01  -0.03  -0.00     0.00   0.02   0.00
    17   6     0.10  -0.06  -0.00    -0.02  -0.02   0.00    -0.01   0.02  -0.00
    18   7    -0.05   0.08   0.00     0.03   0.01   0.00    -0.01  -0.02  -0.00
    19   6    -0.02   0.06   0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    20   6     0.01   0.03   0.00     0.01  -0.01   0.00    -0.01   0.00  -0.00
    21   6    -0.01  -0.09  -0.01    -0.01   0.03  -0.00     0.01  -0.01   0.00
    22   6     0.00   0.04   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    23   7    -0.01  -0.01   0.01    -0.02  -0.02   0.03     0.03   0.02  -0.04
    24   7    -0.01   0.01  -0.01    -0.03   0.07  -0.07    -0.02   0.11  -0.10
    25   7    -0.01  -0.05  -0.05    -0.03   0.06   0.08     0.03  -0.05  -0.06
    26   6    -0.01  -0.01   0.01    -0.09  -0.06   0.02    -0.14  -0.06   0.01
    27   6     0.03  -0.01   0.02     0.01  -0.03   0.03    -0.04  -0.03   0.02
    28   6     0.03   0.02  -0.01     0.04   0.00   0.01     0.01  -0.04   0.04
    29   6     0.03   0.01  -0.00     0.10   0.02   0.01     0.15   0.02   0.03
    30   6    -0.01   0.02  -0.01    -0.03   0.04  -0.01     0.03  -0.05   0.01
    31   6     0.01   0.00  -0.01     0.02   0.01  -0.02    -0.02  -0.01   0.02
    32   6     0.01  -0.01   0.00     0.02  -0.01  -0.00    -0.02   0.01   0.00
    33   6     0.01  -0.01   0.00     0.03  -0.03  -0.00    -0.04   0.03   0.00
    34   6     0.08   0.04   0.02    -0.10  -0.05  -0.03     0.07   0.04   0.02
    35   6     0.07   0.01  -0.01    -0.00  -0.02  -0.03    -0.01   0.02   0.03
    36   6     0.03   0.05   0.05     0.03  -0.01  -0.02    -0.03  -0.00   0.01
    37   6    -0.06   0.00   0.03     0.11   0.02  -0.01    -0.08  -0.02   0.00
    38   6    -0.02  -0.00  -0.01    -0.03  -0.02   0.01    -0.02  -0.03   0.02
    39   6     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.02
    40   6    -0.01   0.00  -0.01    -0.03   0.01  -0.02    -0.05   0.02  -0.03
    41   6    -0.00  -0.01   0.01     0.00  -0.03   0.03     0.02  -0.04   0.04
    42   6    -0.01  -0.00  -0.00     0.00  -0.03   0.03     0.02  -0.04   0.05
    43   6     0.00   0.00  -0.00     0.02   0.03  -0.02     0.03   0.04  -0.03
    44   6    -0.01   0.01  -0.01    -0.01   0.01  -0.02    -0.00   0.01  -0.01
    45   6    -0.00  -0.01   0.01     0.03  -0.01   0.02     0.05   0.01   0.01
    46   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01  -0.02   0.00
    47   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    48   6    -0.00   0.00   0.00    -0.01   0.00   0.01     0.01  -0.00  -0.01
    49   6    -0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.02   0.02
    50   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01  -0.01   0.02
    51   6     0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.02  -0.01
    52   6    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.01  -0.01
    53   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.00   0.01
    54   6    -0.01   0.02   0.02    -0.03  -0.02  -0.01     0.03   0.01   0.01
    55   6     0.00  -0.02  -0.03    -0.00   0.01   0.01     0.00  -0.00  -0.00
    56   6     0.02  -0.01  -0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
    57   6    -0.02   0.00   0.01     0.01  -0.03  -0.03    -0.00   0.02   0.03
    58   6    -0.02   0.02   0.03     0.01  -0.03  -0.03    -0.00   0.02   0.02
    59   6    -0.01  -0.02  -0.02     0.02   0.03   0.02    -0.02  -0.02  -0.02
    60   6    -0.01   0.01   0.01    -0.01   0.01   0.01     0.01  -0.01  -0.02
    61   6    -0.04  -0.02  -0.01     0.03  -0.00  -0.01    -0.02   0.01   0.02
    62   1     0.12  -0.25  -0.01     0.07  -0.12  -0.01    -0.05   0.07   0.01
    63   1    -0.09   0.40   0.01    -0.06   0.28   0.01     0.04  -0.20  -0.01
    64   1     0.20  -0.04   0.01     0.09  -0.02   0.00    -0.11   0.02   0.00
    65   1    -0.04  -0.03  -0.01    -0.07  -0.10  -0.01    -0.01  -0.02   0.01
    66   1    -0.17  -0.00   0.01     0.31  -0.05  -0.01     0.04  -0.01   0.00
    67   1     0.04  -0.01   0.00    -0.12  -0.15  -0.01     0.02   0.04   0.01
    68   1    -0.31   0.24   0.01    -0.05   0.06   0.01     0.06  -0.06  -0.00
    69   1    -0.05   0.07   0.01    -0.12   0.03  -0.00     0.05  -0.02   0.00
    70   1    -0.05  -0.03   0.00    -0.02  -0.04  -0.01     0.02   0.04   0.00
    71   1    -0.22   0.07  -0.00     0.20  -0.03  -0.00    -0.07   0.00   0.01
    72   1    -0.09   0.08  -0.10    -0.19   0.16  -0.21    -0.18   0.15  -0.20
    73   1    -0.01  -0.03   0.02    -0.00   0.01  -0.01     0.02   0.06  -0.05
    74   1    -0.03  -0.00  -0.01    -0.10  -0.00  -0.03    -0.15  -0.00  -0.05
    75   1     0.05  -0.07   0.10     0.10  -0.14   0.18     0.09  -0.11   0.14
    76   1    -0.00   0.04  -0.04    -0.01  -0.09   0.09    -0.00  -0.25   0.26
    77   1     0.01   0.01  -0.00     0.11   0.08  -0.04     0.13   0.09  -0.05
    78   1    -0.03   0.02  -0.03    -0.04   0.03  -0.04    -0.02   0.02  -0.02
    79   1    -0.01  -0.04   0.03     0.04   0.15  -0.12     0.09   0.34  -0.30
    80   1    -0.06  -0.02   0.06    -0.10  -0.03   0.10     0.12   0.04  -0.12
    81   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    82   1    -0.00   0.00   0.00    -0.02   0.01   0.01     0.04  -0.02  -0.01
    83   1     0.03   0.02  -0.04     0.07   0.04  -0.09    -0.08  -0.05   0.10
    84   1    -0.00   0.01  -0.01     0.00   0.02  -0.02    -0.01  -0.03   0.04
    85   1     0.03  -0.04   0.01     0.03  -0.05   0.02    -0.04   0.06  -0.02
    86   1    -0.02  -0.00   0.02    -0.03  -0.00   0.02     0.03   0.00  -0.03
    87   1     0.00  -0.01   0.01    -0.00  -0.05   0.04     0.01   0.07  -0.06
    88   1    -0.01   0.01   0.02    -0.17   0.11   0.20     0.16  -0.11  -0.18
    89   1    -0.03  -0.07  -0.07     0.01   0.02   0.02    -0.00  -0.01  -0.01
    90   1     0.09   0.01  -0.03    -0.11  -0.01   0.04     0.08   0.01  -0.02
    91   1     0.01  -0.03  -0.05     0.09  -0.09  -0.16    -0.09   0.09   0.16
    92   1    -0.01   0.17   0.22    -0.00  -0.10  -0.13     0.00   0.06   0.08
    93   1    -0.11  -0.07  -0.05     0.10   0.07   0.05    -0.07  -0.05  -0.04
    94   1    -0.03   0.01   0.02    -0.03   0.02   0.03     0.03  -0.02  -0.03
    95   1    -0.06  -0.24  -0.27     0.05   0.16   0.18    -0.03  -0.10  -0.11
    96  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                    181                    182                    183
                      A                      A                      A
 Frequencies --   1251.9379              1254.6152              1258.3918
 Red. masses --      2.6840                 2.1640                 1.9812
 Frc consts  --      2.4786                 2.0069                 1.8485
 IR Inten    --     58.5840                34.4688               131.8187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03  -0.00  -0.00
     3   6     0.00  -0.01   0.00    -0.04  -0.06  -0.00     0.03   0.02   0.00
     4   6     0.02  -0.01  -0.00    -0.02  -0.06  -0.00     0.05   0.00   0.00
     5   6     0.00  -0.00   0.00     0.02   0.03   0.00    -0.00  -0.03  -0.00
     6   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.01   0.02   0.00
     7   6    -0.00   0.01   0.00    -0.01   0.08   0.01    -0.04  -0.04  -0.00
     8   6    -0.02  -0.00  -0.00    -0.04   0.01  -0.00    -0.06  -0.01  -0.00
     9   6    -0.01   0.04   0.00    -0.00   0.04   0.00     0.04  -0.02  -0.00
    10   6    -0.00   0.02   0.00    -0.02   0.00   0.00     0.03   0.04   0.00
    11   6     0.01  -0.01  -0.00     0.04   0.01   0.00     0.02  -0.00  -0.00
    12   6     0.00   0.01   0.00    -0.00   0.01  -0.00     0.00  -0.02  -0.00
    13   6     0.01   0.01   0.00     0.03   0.03   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.02  -0.00    -0.04  -0.06  -0.00     0.02   0.02   0.00
    15   7     0.03  -0.01  -0.00     0.05  -0.01  -0.00    -0.03  -0.01  -0.00
    16   6    -0.02   0.02   0.00    -0.01  -0.03  -0.00     0.14  -0.12  -0.00
    17   6    -0.04   0.02  -0.00    -0.07  -0.02  -0.00    -0.03  -0.07  -0.00
    18   7     0.02  -0.03  -0.00     0.04  -0.01  -0.00    -0.06   0.03   0.00
    19   6     0.01  -0.01  -0.00     0.00   0.02  -0.00    -0.02   0.07   0.00
    20   6    -0.00  -0.01  -0.00     0.01  -0.01  -0.00     0.01   0.04   0.00
    21   6    -0.00   0.02   0.01    -0.01   0.04   0.01    -0.00  -0.02  -0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01  -0.00    -0.03   0.05   0.00
    23   7    -0.07  -0.08   0.11     0.01   0.04  -0.04    -0.00  -0.01   0.01
    24   7     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.01   0.01  -0.00
    25   7     0.03  -0.04  -0.05     0.03  -0.03  -0.04     0.02   0.02   0.01
    26   6    -0.00  -0.00  -0.00     0.02  -0.01   0.02    -0.00   0.01  -0.01
    27   6    -0.01   0.00  -0.00     0.05   0.00   0.01    -0.02   0.00  -0.01
    28   6    -0.01  -0.01   0.00     0.03   0.03  -0.02    -0.02  -0.02   0.01
    29   6     0.00  -0.00   0.00    -0.04   0.00  -0.02     0.00  -0.00   0.00
    30   6    -0.11   0.12  -0.01     0.05  -0.02  -0.02    -0.01   0.00   0.00
    31   6    -0.00   0.04  -0.03     0.06  -0.03  -0.01    -0.01   0.00   0.00
    32   6     0.04   0.01  -0.04     0.01  -0.06   0.04    -0.00   0.01  -0.00
    33   6     0.14  -0.10  -0.02    -0.07   0.03   0.03     0.01  -0.00  -0.00
    34   6     0.07   0.04   0.02     0.05   0.03   0.01    -0.01   0.01   0.01
    35   6    -0.03   0.02   0.03    -0.04   0.02   0.03    -0.05   0.00   0.02
    36   6    -0.04  -0.01   0.00    -0.04  -0.02  -0.01    -0.03  -0.03  -0.02
    37   6    -0.07  -0.03  -0.01    -0.05  -0.03  -0.01     0.02  -0.01  -0.01
    38   6     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.00   0.01
    39   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00   0.01  -0.01
    40   6    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00  -0.00  -0.00
    41   6     0.00   0.00  -0.00    -0.02   0.00  -0.01     0.01   0.00  -0.00
    42   6     0.00  -0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    43   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.01
    45   6     0.00   0.00  -0.00    -0.02  -0.01   0.01     0.01   0.01  -0.00
    46   6    -0.02   0.05  -0.02    -0.01  -0.01   0.02     0.00   0.00  -0.00
    47   6    -0.01  -0.01   0.02     0.01   0.02  -0.02    -0.00  -0.00   0.00
    48   6    -0.05   0.01   0.03     0.03  -0.00  -0.02    -0.00   0.00   0.00
    49   6     0.02   0.03  -0.05    -0.02  -0.00   0.02     0.00   0.00  -0.00
    50   6     0.03   0.03  -0.05    -0.03   0.00   0.02     0.00  -0.00  -0.00
    51   6     0.01  -0.05   0.03    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    52   6    -0.01  -0.01   0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
    53   6     0.05  -0.02  -0.02    -0.02   0.03  -0.01     0.00  -0.00   0.00
    54   6     0.03   0.01   0.00     0.03   0.01  -0.00     0.01  -0.01  -0.01
    55   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    56   6     0.02  -0.00  -0.01     0.02  -0.00  -0.01    -0.01   0.00   0.01
    57   6     0.00   0.02   0.03     0.01   0.02   0.02     0.02   0.00  -0.00
    58   6     0.00   0.02   0.02     0.00   0.01   0.02     0.02  -0.00  -0.01
    59   6    -0.02  -0.02  -0.02    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
    60   6     0.01  -0.01  -0.02     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    61   6    -0.01   0.01   0.02    -0.01   0.01   0.02     0.01   0.01   0.01
    62   1    -0.04   0.13  -0.01     0.03  -0.02   0.01    -0.06   0.09   0.01
    63   1     0.01  -0.01  -0.00    -0.05   0.26   0.01     0.03  -0.12  -0.00
    64   1     0.03  -0.00  -0.01    -0.03   0.01  -0.00    -0.06   0.03  -0.00
    65   1     0.02   0.01   0.00    -0.02  -0.06  -0.01     0.18   0.18   0.02
    66   1     0.17  -0.01  -0.01     0.40  -0.04  -0.01    -0.09   0.02   0.00
    67   1    -0.08  -0.08  -0.00    -0.19  -0.23  -0.01     0.06   0.06   0.00
    68   1     0.09  -0.07  -0.00    -0.02   0.01   0.01    -0.35   0.19   0.01
    69   1    -0.03  -0.01   0.00    -0.26   0.06   0.00    -0.46   0.14   0.01
    70   1     0.06   0.07   0.00     0.04   0.03  -0.00    -0.20  -0.21  -0.01
    71   1     0.06  -0.02   0.01     0.31  -0.04   0.02     0.50  -0.01   0.01
    72   1     0.01  -0.01   0.01    -0.02   0.02  -0.03     0.02  -0.02   0.03
    73   1     0.00   0.01  -0.01    -0.02  -0.04   0.03     0.00   0.01  -0.01
    74   1    -0.00   0.00  -0.00     0.04  -0.00   0.02     0.01   0.00   0.00
    75   1    -0.01   0.01  -0.02     0.02  -0.04   0.05    -0.02   0.03  -0.04
    76   1    -0.00  -0.02   0.03    -0.01   0.12  -0.12     0.00  -0.04   0.05
    77   1     0.01   0.01  -0.00     0.02   0.02  -0.01    -0.01  -0.01   0.00
    78   1     0.01  -0.00   0.00    -0.02   0.01  -0.02     0.01  -0.01   0.01
    79   1     0.01   0.03  -0.02    -0.03  -0.13   0.11     0.01   0.04  -0.04
    80   1    -0.29  -0.08   0.28     0.01  -0.01  -0.00    -0.01  -0.00   0.00
    81   1    -0.00  -0.05   0.05    -0.00   0.06  -0.05    -0.00  -0.01   0.01
    82   1    -0.13   0.06   0.05     0.07  -0.03  -0.03    -0.01   0.01   0.01
    83   1     0.17   0.09  -0.22     0.02   0.02  -0.04    -0.00  -0.00  -0.00
    84   1     0.07   0.19  -0.23    -0.07  -0.16   0.21     0.01   0.02  -0.03
    85   1     0.07  -0.12   0.05    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    86   1    -0.04  -0.01   0.04    -0.03   0.00   0.02     0.00  -0.00  -0.00
    87   1    -0.04  -0.32   0.29     0.03   0.21  -0.20    -0.00  -0.03   0.03
    88   1     0.17  -0.11  -0.20     0.16  -0.11  -0.19     0.04  -0.03  -0.05
    89   1     0.00   0.00   0.00     0.01   0.01   0.01     0.01   0.02   0.02
    90   1     0.06   0.00  -0.02     0.03   0.00  -0.01    -0.03  -0.00   0.01
    91   1    -0.10   0.11   0.19    -0.10   0.11   0.19    -0.04   0.05   0.07
    92   1     0.00   0.04   0.04     0.00   0.01   0.01     0.00  -0.09  -0.13
    93   1    -0.05  -0.04  -0.03    -0.03  -0.02  -0.02     0.01   0.00   0.00
    94   1     0.04  -0.02  -0.04     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    95   1    -0.02  -0.07  -0.08    -0.01  -0.04  -0.04     0.02   0.09   0.10
    96  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    184                    185                    186
                      A                      A                      A
 Frequencies --   1264.7294              1266.8372              1269.0589
 Red. masses --      2.4214                 2.5939                 2.4023
 Frc consts  --      2.2820                 2.4527                 2.2795
 IR Inten    --     11.7692                 3.8863                38.0365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.00     0.05  -0.02  -0.00     0.02  -0.00  -0.00
     2   6    -0.02  -0.01  -0.00     0.01  -0.01  -0.00    -0.05   0.02  -0.00
     3   6     0.03  -0.00   0.00    -0.00   0.01   0.00     0.07  -0.02   0.00
     4   6     0.04   0.01   0.00    -0.01   0.04   0.00     0.07   0.02   0.00
     5   6    -0.03  -0.02  -0.00    -0.02  -0.00  -0.00    -0.02  -0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.02  -0.00    -0.01   0.00   0.00
     7   6    -0.00   0.02   0.00     0.02  -0.00  -0.00     0.01  -0.04  -0.00
     8   6    -0.02   0.02   0.00     0.06   0.00   0.00    -0.02  -0.02  -0.00
     9   6     0.00   0.01   0.00     0.00  -0.06  -0.00     0.00   0.01   0.00
    10   6    -0.00   0.02   0.00     0.03  -0.00   0.00     0.00   0.05   0.00
    11   6    -0.01  -0.02  -0.00    -0.03   0.00   0.00    -0.01  -0.01   0.00
    12   6    -0.03  -0.01  -0.00     0.02  -0.01   0.00     0.08   0.01   0.00
    13   6     0.00   0.01   0.00    -0.01  -0.01  -0.00     0.01   0.02  -0.00
    14   6     0.00  -0.02  -0.00     0.01   0.03   0.00    -0.03   0.03   0.00
    15   7     0.00  -0.02  -0.00    -0.06   0.02  -0.00    -0.00  -0.02  -0.00
    16   6     0.02  -0.00   0.00     0.02   0.04   0.00     0.04   0.00   0.00
    17   6    -0.00   0.00   0.00     0.08   0.03   0.00    -0.01   0.00   0.00
    18   7    -0.03  -0.00  -0.00    -0.03  -0.00  -0.00    -0.04  -0.01  -0.00
    19   6    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00  -0.01  -0.00
    20   6    -0.00   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.01  -0.00
    21   6     0.03   0.01   0.00    -0.04  -0.08  -0.01     0.03   0.01   0.00
    22   6     0.01  -0.00   0.00    -0.04   0.00  -0.00     0.00   0.00   0.00
    23   7    -0.02   0.01   0.01    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    24   7     0.01   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    25   7    -0.01  -0.00   0.00    -0.00   0.01   0.01     0.00   0.00   0.00
    26   6     0.02   0.04  -0.04    -0.01  -0.01   0.01    -0.06  -0.09   0.06
    27   6    -0.07   0.01  -0.03     0.02  -0.01   0.01     0.11  -0.02   0.05
    28   6    -0.05  -0.05   0.03     0.02   0.01  -0.01     0.08   0.08  -0.04
    29   6     0.04  -0.02   0.04    -0.00   0.01  -0.01    -0.07   0.05  -0.07
    30   6    -0.01   0.08  -0.06    -0.01   0.06  -0.04    -0.01   0.02  -0.01
    31   6     0.11  -0.03  -0.06     0.07  -0.02  -0.04     0.02  -0.00  -0.01
    32   6     0.05  -0.10   0.05     0.03  -0.07   0.03     0.01  -0.02   0.01
    33   6    -0.07  -0.01   0.06    -0.05  -0.01   0.05    -0.00  -0.01   0.01
    34   6    -0.02  -0.04  -0.04     0.01   0.07   0.08    -0.02  -0.03  -0.03
    35   6     0.07  -0.01  -0.03    -0.10   0.00   0.04     0.05  -0.00  -0.02
    36   6     0.05   0.05   0.03    -0.06  -0.07  -0.06     0.03   0.03   0.02
    37   6    -0.04   0.02   0.04     0.09  -0.02  -0.06    -0.04   0.01   0.03
    38   6     0.02  -0.01   0.02    -0.01   0.00  -0.00    -0.03   0.02  -0.03
    39   6     0.01   0.02  -0.02    -0.00  -0.01   0.00    -0.01  -0.03   0.03
    40   6    -0.02   0.01  -0.02     0.00  -0.00   0.00     0.03  -0.02   0.03
    41   6     0.03   0.00   0.01    -0.01  -0.00   0.00    -0.05   0.00  -0.02
    42   6     0.02   0.01  -0.01    -0.00  -0.01   0.00    -0.03  -0.03   0.02
    43   6    -0.00  -0.02   0.01     0.00   0.01  -0.00     0.01   0.04  -0.03
    44   6     0.02  -0.01   0.02    -0.01   0.01  -0.01    -0.03   0.02  -0.03
    45   6     0.01   0.02  -0.02    -0.00  -0.01   0.01    -0.00  -0.03   0.03
    46   6    -0.03  -0.00   0.03    -0.02  -0.00   0.02    -0.01   0.00   0.00
    47   6     0.00   0.03  -0.03     0.00   0.02  -0.02    -0.00   0.01  -0.00
    48   6     0.03   0.01  -0.03     0.02   0.01  -0.02     0.00   0.00  -0.00
    49   6    -0.04   0.02   0.01    -0.03   0.01   0.01    -0.01   0.01  -0.00
    50   6    -0.02   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.01  -0.01
    51   6    -0.00  -0.03   0.03    -0.00  -0.03   0.02     0.00  -0.01   0.01
    52   6    -0.03  -0.01   0.03    -0.02  -0.01   0.02    -0.01  -0.00   0.01
    53   6     0.00   0.03  -0.03     0.00   0.02  -0.02     0.00   0.01  -0.01
    54   6    -0.02   0.01   0.02     0.02  -0.02  -0.03    -0.01   0.01   0.01
    55   6    -0.00  -0.02  -0.02     0.01   0.03   0.04    -0.00  -0.01  -0.01
    56   6     0.01  -0.01  -0.02    -0.03   0.01   0.03     0.01  -0.01  -0.01
    57   6    -0.03  -0.00   0.01     0.04  -0.01  -0.02    -0.02  -0.00   0.01
    58   6    -0.02  -0.02  -0.01     0.04   0.02   0.02    -0.01  -0.01  -0.01
    59   6     0.01   0.02   0.02    -0.00  -0.03  -0.03     0.00   0.01   0.02
    60   6    -0.02   0.01   0.02     0.03  -0.01  -0.03    -0.01   0.01   0.01
    61   6    -0.01  -0.02  -0.02     0.01   0.02   0.02    -0.00  -0.01  -0.01
    62   1    -0.12   0.32   0.03    -0.03   0.11   0.01    -0.16   0.36   0.02
    63   1    -0.01  -0.08  -0.00    -0.03  -0.01   0.00     0.05  -0.27  -0.01
    64   1    -0.12   0.02  -0.02    -0.02  -0.02  -0.01    -0.14   0.03  -0.01
    65   1     0.09   0.09   0.02    -0.11  -0.09  -0.01    -0.13  -0.15  -0.03
    66   1     0.08  -0.01  -0.01    -0.21   0.03   0.01    -0.20   0.06   0.03
    67   1    -0.04  -0.07  -0.00     0.03   0.05   0.00    -0.01   0.06   0.00
    68   1    -0.02  -0.02  -0.00    -0.03   0.01  -0.00    -0.01  -0.03  -0.00
    69   1    -0.07   0.01  -0.00     0.37  -0.06   0.00    -0.07   0.00  -0.00
    70   1    -0.04  -0.04   0.01     0.01   0.04  -0.01    -0.07  -0.07   0.00
    71   1    -0.10   0.01  -0.01    -0.20   0.02   0.01    -0.01   0.00  -0.01
    72   1     0.07  -0.07   0.09    -0.04   0.04  -0.05    -0.12   0.13  -0.17
    73   1     0.02   0.04  -0.04    -0.00  -0.01   0.01    -0.02  -0.06   0.05
    74   1    -0.08   0.00  -0.03     0.02  -0.00   0.01     0.17  -0.00   0.06
    75   1    -0.08   0.12  -0.16     0.04  -0.05   0.07     0.15  -0.23   0.29
    76   1     0.01  -0.16   0.16    -0.00   0.03  -0.04    -0.01   0.23  -0.24
    77   1    -0.06  -0.05   0.03     0.01   0.01  -0.01     0.12   0.10  -0.05
    78   1     0.04  -0.02   0.03    -0.02   0.01  -0.01    -0.06   0.04  -0.06
    79   1     0.02   0.11  -0.10    -0.00  -0.01   0.01    -0.01  -0.12   0.11
    80   1    -0.16  -0.06   0.18    -0.11  -0.05   0.13    -0.05  -0.02   0.06
    81   1    -0.00   0.07  -0.05    -0.00   0.04  -0.03    -0.00   0.00  -0.00
    82   1     0.12  -0.05  -0.05     0.10  -0.04  -0.04     0.01  -0.00  -0.00
    83   1     0.19   0.12  -0.27     0.14   0.09  -0.20     0.05   0.03  -0.08
    84   1    -0.09  -0.19   0.24    -0.06  -0.13   0.16    -0.01  -0.01   0.02
    85   1     0.07  -0.12   0.05     0.05  -0.09   0.04     0.01  -0.01   0.01
    86   1    -0.07  -0.01   0.06    -0.05  -0.01   0.04    -0.01  -0.00   0.01
    87   1     0.03   0.14  -0.14     0.02   0.08  -0.08     0.00  -0.00   0.00
    88   1    -0.08   0.06   0.11     0.06  -0.06  -0.09    -0.04   0.04   0.06
    89   1    -0.02  -0.04  -0.04     0.03   0.06   0.06    -0.01  -0.02  -0.03
    90   1     0.08   0.00  -0.03    -0.13  -0.00   0.05     0.07   0.00  -0.02
    91   1     0.08  -0.10  -0.17    -0.10   0.13   0.21     0.06  -0.07  -0.12
    92   1    -0.01   0.12   0.16     0.02  -0.23  -0.31    -0.01   0.09   0.12
    93   1     0.06   0.05   0.03    -0.13  -0.10  -0.07     0.06   0.04   0.03
    94   1    -0.04   0.02   0.04     0.05  -0.02  -0.05    -0.02   0.01   0.02
    95   1    -0.01  -0.08  -0.10     0.02   0.17   0.20    -0.00  -0.05  -0.06
    96  17     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    187                    188                    189
                      A                      A                      A
 Frequencies --   1286.5726              1302.6345              1320.9292
 Red. masses --      2.4146                 2.2956                 1.7564
 Frc consts  --      2.3549                 2.2951                 1.8057
 IR Inten    --     23.1556                20.3144                 7.5236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02   0.00    -0.08  -0.04  -0.00    -0.06  -0.06  -0.01
     2   6     0.01   0.01   0.00    -0.02   0.05   0.00     0.04  -0.01   0.00
     3   6    -0.00   0.07   0.00     0.10  -0.14  -0.00     0.01   0.00   0.00
     4   6    -0.05   0.05   0.00    -0.02  -0.03  -0.00    -0.03   0.06   0.00
     5   6    -0.03   0.00  -0.00     0.00   0.05   0.00    -0.01   0.04   0.00
     6   6     0.01  -0.03  -0.00     0.02  -0.01  -0.00    -0.01  -0.00  -0.00
     7   6     0.05  -0.04  -0.00     0.12   0.11   0.00    -0.08   0.03   0.00
     8   6     0.05  -0.10  -0.01     0.02   0.04   0.00     0.04   0.02   0.00
     9   6    -0.02  -0.07  -0.00    -0.05  -0.05  -0.00     0.02  -0.03  -0.00
    10   6    -0.02  -0.05  -0.00    -0.05   0.02   0.00     0.02  -0.07  -0.00
    11   6    -0.04   0.02   0.00    -0.04  -0.02  -0.00     0.00   0.01   0.00
    12   6     0.01  -0.02   0.00    -0.03   0.02   0.00     0.03  -0.08  -0.01
    13   6    -0.03  -0.01  -0.00     0.01  -0.00   0.00    -0.01   0.02   0.00
    14   6     0.03   0.10   0.01     0.01  -0.02  -0.00     0.01  -0.00   0.00
    15   7     0.05   0.07   0.00     0.01   0.01   0.00     0.01   0.03   0.00
    16   6    -0.12  -0.04  -0.00     0.01  -0.03  -0.00    -0.06   0.00  -0.00
    17   6    -0.08  -0.09  -0.00     0.02  -0.05  -0.00    -0.01  -0.00   0.00
    18   7     0.08   0.04   0.00     0.01   0.04   0.00     0.02   0.01   0.00
    19   6    -0.00   0.00  -0.00     0.00   0.03   0.00    -0.00  -0.01  -0.00
    20   6     0.03  -0.04  -0.00    -0.00   0.00   0.00     0.01  -0.01   0.00
    21   6    -0.02   0.09   0.01    -0.02  -0.01   0.00    -0.01   0.02   0.00
    22   6     0.02   0.02  -0.00     0.02   0.01  -0.00     0.00  -0.00  -0.00
    23   7     0.02  -0.02  -0.00    -0.03   0.03   0.01    -0.02  -0.01   0.03
    24   7    -0.02  -0.00  -0.00    -0.05  -0.01  -0.00     0.04  -0.01   0.03
    25   7     0.01  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00   0.00   0.01
    26   6     0.00   0.01  -0.01     0.03   0.03  -0.02    -0.02   0.01  -0.02
    27   6     0.01  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.00
    28   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    29   6     0.02   0.00   0.01     0.04  -0.02   0.03    -0.03   0.04  -0.05
    30   6    -0.01   0.04  -0.02     0.02  -0.03   0.01     0.02   0.02  -0.04
    31   6     0.02  -0.00  -0.01    -0.00  -0.01   0.01     0.01  -0.02   0.01
    32   6     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01   0.01
    33   6    -0.04  -0.00   0.03     0.04   0.01  -0.04     0.02   0.03  -0.04
    34   6     0.01  -0.02  -0.03     0.01   0.02   0.02     0.00  -0.01  -0.01
    35   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    36   6    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    37   6    -0.02  -0.01  -0.01     0.02  -0.00  -0.01     0.00  -0.01  -0.01
    38   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.01   0.01
    39   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    40   6    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01  -0.02   0.02
    41   6     0.00  -0.01   0.01     0.01  -0.01   0.02    -0.02   0.01  -0.02
    42   6     0.00   0.00  -0.00     0.00   0.02  -0.01     0.01   0.01  -0.00
    43   6     0.00  -0.00   0.01    -0.00  -0.01   0.01     0.01   0.00   0.00
    44   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    45   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00     0.01  -0.00   0.01
    46   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.01  -0.01   0.01
    47   6    -0.00   0.01  -0.01     0.00  -0.01   0.00     0.01  -0.01   0.00
    48   6     0.01   0.01  -0.02    -0.01  -0.01   0.02     0.00  -0.02   0.01
    49   6    -0.02   0.00   0.01     0.02   0.00  -0.02     0.02  -0.00  -0.01
    50   6     0.00   0.02  -0.01    -0.01  -0.01   0.01    -0.01   0.02  -0.01
    51   6    -0.00  -0.02   0.01    -0.00   0.01  -0.01    -0.01   0.00   0.01
    52   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.01   0.00   0.00
    53   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.01  -0.01   0.01
    54   6     0.00   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    55   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    56   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.00   0.00   0.00
    57   6     0.00   0.01   0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    58   6    -0.01  -0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
    59   6    -0.01   0.00   0.01     0.00  -0.01  -0.01    -0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    61   6    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    62   1     0.07  -0.16  -0.00    -0.20   0.62   0.02    -0.05   0.30   0.01
    63   1    -0.01  -0.07  -0.00     0.08  -0.18  -0.01     0.09  -0.27  -0.01
    64   1    -0.02  -0.03  -0.01     0.08  -0.02   0.01     0.39  -0.09   0.00
    65   1    -0.18  -0.14  -0.01    -0.36  -0.40  -0.02     0.26   0.32   0.02
    66   1    -0.34   0.04   0.01    -0.11   0.02  -0.00    -0.08   0.03   0.00
    67   1     0.32   0.43   0.02     0.09   0.07   0.01    -0.22  -0.25  -0.02
    68   1     0.17   0.08   0.01     0.02   0.05   0.00    -0.06   0.08   0.01
    69   1    -0.12   0.02  -0.00    -0.11   0.05   0.00     0.07  -0.02  -0.00
    70   1     0.08   0.00   0.00     0.02   0.02  -0.00     0.03   0.00  -0.00
    71   1     0.50  -0.04   0.01     0.01   0.01   0.01     0.06  -0.01  -0.00
    72   1    -0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.05   0.07  -0.08
    73   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.04   0.06  -0.04
    74   1    -0.02  -0.00  -0.01    -0.11   0.00  -0.04     0.18   0.01   0.05
    75   1     0.01  -0.01   0.02    -0.04   0.06  -0.07     0.09  -0.11   0.14
    76   1     0.00  -0.03   0.02    -0.00  -0.05   0.04     0.00  -0.08   0.09
    77   1    -0.04  -0.03   0.01    -0.06  -0.04   0.02    -0.06  -0.04   0.01
    78   1    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.05   0.02  -0.03
    79   1    -0.00   0.01  -0.01    -0.01  -0.01   0.01     0.02   0.09  -0.08
    80   1    -0.02  -0.02   0.03     0.02   0.02  -0.03     0.08   0.04  -0.09
    81   1     0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.01   0.06  -0.04
    82   1     0.08  -0.03  -0.03    -0.12   0.05   0.04    -0.13   0.07   0.04
    83   1     0.07   0.04  -0.09    -0.08  -0.05   0.10    -0.11  -0.06   0.13
    84   1    -0.02  -0.05   0.06     0.00   0.01  -0.01    -0.04  -0.11   0.12
    85   1     0.03  -0.06   0.02    -0.01   0.03  -0.01     0.07  -0.11   0.03
    86   1    -0.01  -0.00   0.01     0.02   0.00  -0.01     0.06  -0.00  -0.05
    87   1     0.01  -0.01  -0.00     0.00   0.04  -0.03     0.02   0.09  -0.09
    88   1     0.04  -0.03  -0.05    -0.01   0.00   0.01     0.02  -0.02  -0.03
    89   1    -0.01  -0.01  -0.01     0.00   0.01   0.01    -0.01  -0.01  -0.01
    90   1    -0.02  -0.00   0.00    -0.03   0.00   0.01    -0.04  -0.00   0.01
    91   1    -0.03   0.03   0.05    -0.02   0.01   0.03    -0.02   0.02   0.04
    92   1    -0.01   0.07   0.08    -0.00  -0.04  -0.05    -0.00   0.03   0.04
    93   1     0.07   0.04   0.03    -0.04  -0.03  -0.02     0.03   0.02   0.01
    94   1     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.01  -0.01
    95   1    -0.01  -0.05  -0.06    -0.00   0.01   0.01    -0.00  -0.03  -0.03
    96  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    190                    191                    192
                      A                      A                      A
 Frequencies --   1325.4047              1335.7790              1340.3032
 Red. masses --      2.4373                 1.8789                 2.0885
 Frc consts  --      2.5226                 1.9752                 2.2105
 IR Inten    --     35.9534                 5.2432                41.4997
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.00    -0.01  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.03   0.04  -0.00     0.01   0.00   0.00     0.02  -0.06  -0.00
     3   6     0.07   0.04   0.00    -0.00   0.03   0.00    -0.03  -0.04  -0.00
     4   6     0.02  -0.09  -0.00     0.00   0.05   0.00     0.00   0.10   0.01
     5   6    -0.00   0.00  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     6   6     0.04   0.02   0.00    -0.02  -0.00   0.00    -0.04  -0.02  -0.00
     7   6    -0.04  -0.02  -0.00    -0.02  -0.04  -0.00    -0.01   0.04   0.00
     8   6    -0.04  -0.07  -0.00    -0.00   0.03   0.00     0.02   0.05   0.00
     9   6     0.02   0.08   0.00     0.01  -0.00   0.00     0.01  -0.05  -0.00
    10   6    -0.10   0.01  -0.00     0.01  -0.05  -0.00     0.04  -0.05  -0.00
    11   6     0.02   0.01   0.00    -0.00  -0.04  -0.00    -0.00  -0.01  -0.00
    12   6     0.02  -0.04  -0.00    -0.02   0.04   0.01    -0.01  -0.00  -0.00
    13   6    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.01  -0.00  -0.00
    14   6    -0.01   0.02   0.00    -0.00  -0.01  -0.00     0.00  -0.02  -0.00
    15   7     0.08   0.01   0.00     0.02   0.02   0.00     0.02   0.04   0.00
    16   6    -0.07  -0.08  -0.00    -0.03  -0.02  -0.00    -0.05  -0.01  -0.00
    17   6    -0.01  -0.07  -0.00    -0.01  -0.01  -0.00    -0.04  -0.02  -0.00
    18   7    -0.00   0.04   0.00     0.01   0.02   0.00     0.01   0.01   0.00
    19   6    -0.03   0.06   0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
    20   6    -0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    21   6     0.01  -0.07   0.01     0.00  -0.01   0.00    -0.00  -0.01   0.01
    22   6     0.09   0.05   0.00     0.01   0.01  -0.00    -0.01   0.02  -0.00
    23   7     0.01  -0.01   0.01    -0.00  -0.04   0.03     0.01   0.07  -0.06
    24   7     0.01  -0.01   0.02     0.02   0.08  -0.06     0.01   0.01  -0.00
    25   7    -0.02  -0.04  -0.05     0.01  -0.01  -0.02     0.05  -0.03  -0.04
    26   6    -0.01   0.01  -0.02     0.00  -0.08   0.08     0.00  -0.01   0.01
    27   6    -0.01  -0.01   0.00     0.04   0.03  -0.02    -0.01   0.00  -0.01
    28   6     0.01  -0.00   0.01    -0.06  -0.02  -0.00    -0.00  -0.01   0.01
    29   6    -0.01   0.02  -0.03     0.01  -0.05   0.05    -0.00   0.00  -0.00
    30   6     0.00   0.02  -0.02     0.01   0.04  -0.04    -0.02  -0.06   0.07
    31   6     0.00  -0.00   0.00     0.01  -0.02   0.01    -0.02   0.04  -0.02
    32   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.04  -0.04   0.00
    33   6    -0.00   0.01  -0.00     0.01   0.01  -0.02    -0.03  -0.02   0.03
    34   6    -0.01   0.06   0.08    -0.00   0.01   0.02    -0.00   0.02   0.02
    35   6    -0.03  -0.02  -0.02    -0.01  -0.01  -0.00    -0.05  -0.01   0.01
    36   6     0.04   0.01  -0.01     0.02   0.00  -0.00     0.04  -0.01  -0.02
    37   6     0.01   0.04   0.04    -0.01   0.01   0.02    -0.04   0.04   0.06
    38   6     0.01  -0.00   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    39   6    -0.01  -0.00   0.00     0.02   0.02  -0.01    -0.00   0.00  -0.00
    40   6    -0.00  -0.01   0.01     0.01   0.02  -0.01    -0.00  -0.00   0.00
    41   6    -0.01   0.01  -0.01     0.03  -0.01   0.02     0.00   0.00  -0.00
    42   6     0.01   0.00  -0.00    -0.02  -0.05   0.04     0.00  -0.00   0.00
    43   6     0.01   0.00   0.00    -0.03   0.02  -0.03    -0.01  -0.00  -0.00
    44   6     0.00   0.00   0.00    -0.03  -0.00  -0.01     0.00  -0.00   0.00
    45   6     0.00  -0.01   0.01     0.00   0.02  -0.02     0.00   0.01  -0.01
    46   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.01   0.02  -0.02
    48   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.01
    49   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.03  -0.00   0.02
    50   6    -0.00   0.01  -0.01     0.00   0.03  -0.02    -0.01  -0.04   0.04
    51   6    -0.01  -0.00   0.01    -0.02  -0.00   0.01     0.03   0.00  -0.02
    52   6    -0.00   0.00   0.00    -0.01   0.01   0.01     0.03  -0.01  -0.01
    53   6     0.00  -0.00   0.00    -0.00  -0.01   0.01     0.00   0.02  -0.02
    54   6     0.00  -0.01  -0.02     0.00  -0.00  -0.00     0.02  -0.01  -0.02
    55   6    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01
    56   6    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.01  -0.02  -0.02
    57   6    -0.02   0.00   0.01    -0.01   0.00   0.01    -0.03   0.02   0.03
    58   6     0.02   0.03   0.03     0.00   0.01   0.01     0.01   0.02   0.02
    59   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01     0.00  -0.00  -0.01
    60   6     0.02   0.00  -0.01     0.01   0.00  -0.00     0.02  -0.01  -0.01
    61   6    -0.00  -0.02  -0.02     0.00  -0.00  -0.00     0.01   0.00   0.00
    62   1    -0.01  -0.03   0.00    -0.00   0.07  -0.00    -0.05   0.15   0.02
    63   1    -0.03   0.09   0.00     0.04  -0.16  -0.01     0.06  -0.20  -0.00
    64   1    -0.15   0.07  -0.00     0.16  -0.04  -0.01     0.18  -0.07   0.02
    65   1     0.13   0.15   0.01     0.04   0.01   0.02     0.04   0.05   0.00
    66   1     0.01   0.02  -0.00     0.06  -0.03   0.02    -0.00  -0.00   0.00
    67   1     0.05   0.10   0.00     0.01  -0.00   0.00    -0.09  -0.13  -0.01
    68   1     0.12  -0.05  -0.00    -0.02   0.05   0.00    -0.02   0.09   0.01
    69   1    -0.06   0.07   0.00    -0.00   0.01   0.00     0.07  -0.01  -0.00
    70   1     0.28   0.35   0.02     0.05   0.05   0.01     0.05   0.05   0.02
    71   1    -0.29   0.10   0.02     0.00   0.02   0.01     0.12   0.01   0.01
    72   1    -0.04   0.05  -0.06     0.12  -0.13   0.16    -0.01   0.01  -0.01
    73   1     0.03   0.04  -0.03    -0.08  -0.12   0.09     0.00   0.01  -0.01
    74   1     0.10   0.01   0.03    -0.21  -0.02  -0.05     0.02   0.00   0.00
    75   1     0.06  -0.07   0.09    -0.13   0.17  -0.22     0.01  -0.00   0.00
    76   1    -0.00  -0.06   0.06     0.02   0.30  -0.30     0.00   0.02  -0.02
    77   1    -0.05  -0.03   0.01     0.28   0.19  -0.08     0.03   0.02  -0.01
    78   1    -0.03   0.01  -0.02     0.18  -0.07   0.12     0.01  -0.01   0.01
    79   1     0.01   0.06  -0.05    -0.02  -0.22   0.20    -0.00  -0.02   0.02
    80   1     0.01   0.00  -0.01     0.06   0.03  -0.07    -0.10  -0.04   0.11
    81   1    -0.00   0.01  -0.01    -0.01   0.06  -0.04     0.03  -0.10   0.06
    82   1    -0.01   0.01   0.00    -0.08   0.04   0.02     0.13  -0.07  -0.04
    83   1    -0.01  -0.00   0.01    -0.07  -0.04   0.09     0.12   0.07  -0.16
    84   1    -0.01  -0.04   0.05    -0.04  -0.13   0.14     0.07   0.24  -0.27
    85   1     0.03  -0.04   0.01     0.09  -0.14   0.04    -0.17   0.25  -0.07
    86   1     0.01  -0.00  -0.01     0.09  -0.01  -0.07    -0.18   0.01   0.13
    87   1     0.01   0.01  -0.02     0.03   0.09  -0.09    -0.06  -0.17   0.19
    88   1    -0.11   0.09   0.15    -0.04   0.03   0.05    -0.10   0.10   0.16
    89   1     0.05   0.08   0.08     0.02   0.04   0.03     0.08   0.12   0.12
    90   1     0.16   0.02  -0.03     0.07   0.01  -0.02     0.24   0.03  -0.06
    91   1     0.09  -0.11  -0.17     0.04  -0.05  -0.07     0.14  -0.13  -0.22
    92   1    -0.00  -0.22  -0.27    -0.00  -0.06  -0.08     0.00  -0.09  -0.12
    93   1    -0.22  -0.14  -0.09    -0.06  -0.04  -0.02    -0.08  -0.05  -0.03
    94   1    -0.12   0.03   0.09    -0.04   0.01   0.03    -0.07   0.01   0.04
    95   1     0.01   0.14   0.17     0.00   0.05   0.05     0.01   0.07   0.08
    96  17    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    193                    194                    195
                      A                      A                      A
 Frequencies --   1341.3312              1345.5371              1345.9192
 Red. masses --      2.2879                 1.9430                 1.9835
 Frc consts  --      2.4253                 2.0725                 2.1170
 IR Inten    --     66.3039                 6.8557                37.9202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.03  -0.01  -0.00     0.01   0.01  -0.00
     2   6     0.01  -0.00   0.00    -0.00  -0.01   0.00     0.01  -0.02  -0.00
     3   6    -0.05  -0.02  -0.00    -0.00   0.02   0.00    -0.02   0.00  -0.00
     4   6     0.00  -0.02  -0.00     0.01  -0.01  -0.00     0.00   0.04   0.00
     5   6     0.02  -0.01  -0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.01   0.00     0.01   0.00   0.00    -0.02  -0.00  -0.00
     7   6    -0.00   0.03   0.00    -0.02   0.00  -0.00    -0.01  -0.01  -0.00
     8   6     0.00  -0.06  -0.00     0.00  -0.03  -0.00    -0.00  -0.00  -0.00
     9   6     0.02  -0.03  -0.00     0.01   0.00   0.00     0.01   0.00   0.00
    10   6     0.07   0.06   0.00    -0.01   0.01   0.00     0.02  -0.02  -0.00
    11   6     0.02   0.04   0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    12   6     0.01  -0.01  -0.00     0.00  -0.01   0.00     0.03   0.00   0.00
    13   6    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    14   6     0.01   0.02   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
    15   7    -0.04   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6     0.02   0.04   0.00    -0.01  -0.00  -0.00    -0.01   0.00   0.00
    17   6    -0.03   0.02   0.00     0.00  -0.01  -0.00    -0.02   0.02   0.00
    18   7    -0.01  -0.05  -0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.00
    19   6    -0.01  -0.02  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    20   6     0.00   0.01  -0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
    21   6    -0.01  -0.03   0.00     0.00  -0.00  -0.00     0.02   0.02   0.00
    22   6    -0.06   0.02   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    23   7    -0.03  -0.03   0.04    -0.03   0.01   0.01    -0.00   0.00   0.00
    24   7    -0.04  -0.02   0.01     0.00   0.01  -0.01    -0.03  -0.00  -0.00
    25   7     0.10   0.00  -0.03    -0.01   0.01   0.01    -0.01  -0.02  -0.02
    26   6    -0.00   0.03  -0.03     0.00  -0.01   0.01    -0.03   0.02  -0.03
    27   6     0.01  -0.02   0.03     0.00   0.01  -0.01     0.04  -0.07   0.08
    28   6     0.01   0.03  -0.02    -0.01  -0.01   0.01    -0.01   0.08  -0.08
    29   6     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.04   0.04
    30   6     0.01   0.03  -0.03    -0.04  -0.01   0.04    -0.00  -0.00   0.00
    31   6     0.03  -0.03   0.00     0.08   0.05  -0.10     0.01   0.00  -0.01
    32   6    -0.03   0.02   0.01    -0.05  -0.07   0.10    -0.01  -0.01   0.01
    33   6     0.03   0.02  -0.04     0.02   0.05  -0.05     0.00   0.00  -0.00
    34   6    -0.00  -0.02  -0.02    -0.00  -0.00  -0.00    -0.02   0.02   0.04
    35   6    -0.06   0.02   0.05     0.01  -0.00  -0.00     0.01  -0.05  -0.06
    36   6     0.02  -0.04  -0.06    -0.01   0.00   0.01     0.01   0.05   0.06
    37   6    -0.05   0.05   0.08     0.01  -0.01  -0.01    -0.02  -0.02  -0.01
    38   6    -0.02   0.01  -0.01     0.01  -0.01   0.01    -0.04   0.05  -0.06
    39   6     0.01  -0.01   0.01    -0.00   0.01  -0.01     0.03  -0.02   0.02
    40   6     0.01   0.01  -0.00    -0.01  -0.00  -0.00     0.04   0.02  -0.00
    41   6    -0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.02   0.02
    42   6    -0.00   0.02  -0.02     0.00  -0.01   0.01    -0.01   0.01  -0.01
    43   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00     0.05   0.01   0.00
    44   6     0.01   0.01  -0.01    -0.01  -0.00   0.00     0.01   0.03  -0.03
    45   6    -0.01  -0.02   0.02     0.00   0.01  -0.01    -0.00  -0.06   0.06
    46   6    -0.01  -0.00   0.01    -0.06  -0.03   0.07    -0.01  -0.00   0.01
    47   6     0.01  -0.02   0.01     0.04  -0.00  -0.03     0.00  -0.00  -0.00
    48   6    -0.00  -0.01   0.01     0.04  -0.04   0.01     0.00  -0.00   0.00
    49   6     0.03   0.01  -0.03     0.01   0.02  -0.03     0.00   0.00  -0.00
    50   6     0.00   0.02  -0.02    -0.02   0.00   0.01    -0.00   0.00  -0.00
    51   6    -0.01  -0.00   0.01     0.04  -0.04  -0.00     0.00  -0.00   0.00
    52   6    -0.02   0.00   0.01    -0.00  -0.04   0.03    -0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00     0.02   0.07  -0.07     0.00   0.01  -0.01
    54   6     0.04  -0.02  -0.04    -0.00   0.00   0.01    -0.03   0.03   0.04
    55   6    -0.03  -0.00   0.01     0.01   0.00   0.00     0.01  -0.02  -0.02
    56   6    -0.03  -0.03  -0.03     0.00   0.00   0.00     0.03   0.01  -0.00
    57   6    -0.03   0.03   0.04     0.01  -0.01  -0.01    -0.01  -0.00   0.00
    58   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01   0.02
    59   6    -0.02  -0.00   0.01     0.00   0.00   0.00     0.03   0.01  -0.00
    60   6     0.01  -0.02  -0.02    -0.00   0.00   0.00     0.02   0.02   0.02
    61   6     0.01   0.03   0.03    -0.00  -0.00  -0.00    -0.00  -0.04  -0.05
    62   1     0.02  -0.03  -0.02    -0.00  -0.00  -0.01    -0.00   0.02  -0.00
    63   1    -0.02   0.12   0.00    -0.04   0.08   0.00     0.02  -0.06  -0.00
    64   1    -0.03   0.02  -0.01    -0.08   0.02   0.00     0.07  -0.02   0.00
    65   1    -0.12  -0.14  -0.01     0.01   0.01   0.00     0.01   0.00   0.01
    66   1     0.04   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.01  -0.00
    67   1     0.07   0.09   0.00     0.03   0.03   0.00    -0.05  -0.04  -0.00
    68   1     0.02  -0.02  -0.00     0.03  -0.01  -0.00    -0.05   0.02   0.00
    69   1     0.17  -0.05   0.00     0.03  -0.00   0.00    -0.04  -0.00  -0.00
    70   1    -0.02  -0.02   0.02     0.03   0.03  -0.00    -0.03  -0.04  -0.00
    71   1     0.16  -0.01   0.00    -0.02   0.01  -0.00     0.03  -0.01   0.01
    72   1     0.02  -0.04   0.04    -0.01   0.01  -0.01     0.18  -0.21   0.25
    73   1    -0.02  -0.04   0.04     0.00   0.01  -0.01    -0.11  -0.21   0.17
    74   1    -0.07  -0.00  -0.02     0.01   0.00   0.00    -0.23  -0.02  -0.05
    75   1    -0.03   0.02  -0.03    -0.00   0.01  -0.01    -0.11   0.10  -0.14
    76   1    -0.01  -0.11   0.10     0.01   0.05  -0.05    -0.03  -0.13   0.12
    77   1    -0.12  -0.08   0.03     0.05   0.03  -0.01    -0.18  -0.10   0.04
    78   1    -0.08   0.04  -0.06     0.05  -0.02   0.04    -0.19   0.10  -0.16
    79   1     0.00   0.10  -0.09    -0.01  -0.06   0.05     0.02   0.26  -0.23
    80   1     0.10   0.05  -0.12     0.29   0.14  -0.33     0.03   0.01  -0.04
    81   1    -0.02   0.12  -0.08    -0.03   0.30  -0.23    -0.00   0.03  -0.02
    82   1    -0.15   0.08   0.05    -0.26   0.15   0.07    -0.03   0.02   0.01
    83   1    -0.13  -0.07   0.16    -0.19  -0.07   0.21    -0.02  -0.01   0.02
    84   1    -0.04  -0.12   0.13     0.02   0.13  -0.13    -0.00   0.01  -0.01
    85   1     0.08  -0.11   0.03    -0.14   0.18  -0.04    -0.01   0.01  -0.00
    86   1     0.09  -0.01  -0.06    -0.24  -0.01   0.20    -0.02  -0.00   0.01
    87   1     0.02   0.09  -0.09    -0.08  -0.26   0.27    -0.01  -0.02   0.02
    88   1    -0.15   0.15   0.24     0.03  -0.03  -0.05     0.10  -0.09  -0.14
    89   1     0.11   0.18   0.17    -0.02  -0.04  -0.03    -0.04  -0.09  -0.10
    90   1     0.35   0.04  -0.08    -0.05  -0.01   0.01    -0.09  -0.01   0.01
    91   1     0.19  -0.17  -0.29    -0.03   0.03   0.05    -0.04   0.02   0.03
    92   1     0.02   0.02   0.01    -0.00   0.02   0.02    -0.02  -0.13  -0.15
    93   1     0.07   0.04   0.03     0.01   0.01   0.01    -0.17  -0.10  -0.05
    94   1     0.04  -0.02  -0.05     0.01  -0.00  -0.00    -0.18   0.07   0.15
    95   1     0.01  -0.04  -0.05    -0.00  -0.01  -0.01     0.01   0.20   0.23
    96  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                    196                    197                    198
                      A                      A                      A
 Frequencies --   1347.5919              1353.7199              1365.8462
 Red. masses --      2.0246                 3.5647                 4.0460
 Frc consts  --      2.1662                 3.8489                 4.4471
 IR Inten    --     14.1134               103.4136                13.7885
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.03   0.02  -0.00    -0.13  -0.11   0.00
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00    -0.00   0.14   0.00
     3   6    -0.05  -0.01  -0.00    -0.01   0.06   0.00     0.10   0.02   0.00
     4   6    -0.00   0.02   0.00    -0.02   0.06   0.00    -0.11  -0.11  -0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.01  -0.00    -0.02   0.12   0.01
     6   6    -0.01  -0.00   0.00    -0.02  -0.02  -0.00     0.10  -0.01   0.00
     7   6     0.05   0.00   0.00     0.15  -0.12  -0.00    -0.04  -0.01  -0.00
     8   6     0.01   0.01   0.00    -0.02   0.16   0.01     0.05  -0.05  -0.00
     9   6    -0.02  -0.02  -0.00    -0.09   0.06   0.00    -0.05   0.03   0.00
    10   6     0.04   0.01   0.00    -0.04  -0.12  -0.01     0.00   0.01   0.00
    11   6    -0.01   0.00   0.00    -0.09  -0.09  -0.00     0.00   0.04   0.00
    12   6    -0.02   0.02  -0.00    -0.04   0.13  -0.01     0.03  -0.08   0.00
    13   6     0.00  -0.01   0.00     0.10  -0.04  -0.00    -0.03   0.01  -0.00
    14   6    -0.00  -0.01  -0.00    -0.06  -0.06  -0.00     0.02   0.05   0.00
    15   7    -0.03  -0.01  -0.00     0.03  -0.04  -0.00    -0.06  -0.06  -0.00
    16   6     0.03   0.03   0.00     0.05  -0.04  -0.00     0.08   0.08   0.01
    17   6    -0.03   0.03   0.00     0.02   0.03   0.00     0.02   0.09   0.00
    18   7     0.01  -0.03  -0.00     0.05   0.04   0.00     0.06  -0.05  -0.00
    19   6     0.02  -0.03  -0.00     0.05   0.01   0.00     0.07  -0.05  -0.00
    20   6     0.00   0.01  -0.00    -0.01   0.02   0.00    -0.00   0.03   0.00
    21   6     0.01   0.03   0.01    -0.00   0.05   0.01    -0.01   0.10   0.01
    22   6    -0.04  -0.01  -0.00     0.01  -0.04  -0.00    -0.05  -0.08  -0.01
    23   7    -0.01  -0.02   0.02     0.02  -0.04   0.02     0.08  -0.05  -0.02
    24   7    -0.00  -0.02   0.02     0.04  -0.02   0.03    -0.01   0.01  -0.01
    25   7     0.03  -0.03  -0.04    -0.07  -0.04  -0.02    -0.02  -0.04  -0.02
    26   6     0.03   0.01   0.00    -0.00   0.01  -0.01    -0.02   0.00  -0.01
    27   6    -0.04   0.04  -0.05    -0.04  -0.04   0.02     0.04   0.02  -0.01
    28   6     0.03  -0.05   0.05     0.04   0.02  -0.01    -0.04  -0.01  -0.00
    29   6     0.00   0.03  -0.03    -0.04   0.00  -0.01     0.02   0.01  -0.00
    30   6     0.00   0.01  -0.01    -0.02   0.03  -0.01     0.02   0.02  -0.04
    31   6     0.01  -0.02   0.01     0.03   0.00  -0.02    -0.05   0.08  -0.03
    32   6    -0.02   0.02   0.00    -0.04   0.00   0.03     0.02  -0.04   0.01
    33   6     0.01   0.00  -0.01    -0.01   0.01  -0.00    -0.04   0.03   0.01
    34   6    -0.02   0.03   0.04     0.03   0.03   0.02     0.03   0.01   0.01
    35   6    -0.01  -0.06  -0.07    -0.02   0.03   0.04    -0.05  -0.01   0.00
    36   6     0.02   0.06   0.06     0.06  -0.02  -0.05     0.08   0.01  -0.02
    37   6    -0.04  -0.01   0.01     0.02   0.00  -0.00    -0.02  -0.02  -0.02
    38   6     0.02  -0.03   0.04    -0.01   0.01  -0.02     0.01  -0.01   0.01
    39   6    -0.03   0.00  -0.01    -0.02  -0.03   0.02     0.02   0.02  -0.02
    40   6    -0.03  -0.01   0.00     0.02  -0.01   0.01    -0.02   0.00  -0.01
    41   6    -0.00   0.02  -0.02    -0.03   0.03  -0.03     0.02  -0.02   0.02
    42   6     0.01   0.01  -0.01     0.00   0.02  -0.02    -0.00  -0.03   0.03
    43   6    -0.03  -0.02   0.01     0.00   0.00   0.00     0.02   0.01  -0.00
    44   6     0.00  -0.02   0.02     0.03   0.00   0.01    -0.04   0.01  -0.02
    45   6     0.00   0.04  -0.04     0.01  -0.01   0.01    -0.00  -0.01   0.01
    46   6     0.00   0.00  -0.00    -0.01  -0.01   0.02    -0.02  -0.02   0.03
    47   6     0.00  -0.01   0.01     0.02  -0.01  -0.00    -0.00   0.04  -0.03
    48   6    -0.00  -0.00   0.01     0.01  -0.01  -0.00     0.03  -0.01  -0.02
    49   6     0.01   0.00  -0.01     0.01   0.01  -0.01    -0.04  -0.02   0.05
    50   6     0.00   0.01  -0.01     0.00   0.03  -0.02    -0.01  -0.02   0.03
    51   6    -0.01  -0.00   0.01     0.00  -0.02   0.01    -0.02   0.01   0.01
    52   6    -0.01   0.01   0.01    -0.02  -0.01   0.02     0.05  -0.02  -0.02
    53   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.01  -0.00
    54   6    -0.02   0.03   0.04     0.01  -0.02  -0.03    -0.01   0.00   0.01
    55   6     0.01  -0.03  -0.03    -0.03  -0.01   0.00    -0.04  -0.04  -0.03
    56   6     0.03  -0.00  -0.01    -0.02   0.00   0.01     0.03   0.01  -0.00
    57   6    -0.03   0.01   0.02    -0.00   0.01   0.01    -0.02   0.03   0.04
    58   6    -0.00   0.02   0.03     0.01   0.02   0.02     0.00   0.03   0.04
    59   6     0.04   0.01  -0.00    -0.01  -0.02  -0.02    -0.01  -0.01  -0.01
    60   6     0.03   0.02   0.01     0.00  -0.02  -0.02     0.03  -0.01  -0.02
    61   6     0.00  -0.04  -0.05    -0.01   0.03   0.03    -0.00   0.01   0.02
    62   1     0.03  -0.07  -0.01     0.07  -0.20  -0.02     0.07  -0.10   0.02
    63   1    -0.01   0.05   0.00     0.00  -0.08  -0.00     0.03  -0.05  -0.01
    64   1    -0.02  -0.00  -0.01     0.01  -0.03  -0.01     0.08  -0.00   0.01
    65   1    -0.12  -0.12  -0.02    -0.03  -0.01  -0.02     0.06   0.11   0.02
    66   1    -0.00  -0.01  -0.00    -0.09  -0.01  -0.01    -0.15   0.03   0.01
    67   1     0.06   0.06   0.01    -0.03  -0.03   0.01    -0.09  -0.06  -0.01
    68   1    -0.01  -0.00  -0.00    -0.07   0.02   0.00    -0.13  -0.06  -0.01
    69   1    -0.04  -0.02  -0.00    -0.37   0.08  -0.00    -0.20  -0.02  -0.00
    70   1    -0.12  -0.14   0.00    -0.16  -0.17  -0.00    -0.30  -0.35  -0.01
    71   1     0.15  -0.03   0.01    -0.08  -0.03   0.01     0.09  -0.10   0.01
    72   1    -0.16   0.18  -0.22    -0.01   0.02  -0.02     0.03  -0.04   0.05
    73   1     0.10   0.18  -0.15     0.04   0.04  -0.03    -0.04  -0.06   0.05
    74   1     0.18   0.02   0.04     0.08   0.00   0.03    -0.05  -0.00  -0.01
    75   1     0.10  -0.10   0.14     0.07  -0.08   0.10    -0.04   0.05  -0.06
    76   1     0.01   0.00  -0.00    -0.01  -0.11   0.10     0.01   0.06  -0.06
    77   1     0.04   0.02  -0.00    -0.10  -0.05   0.02     0.03   0.02  -0.01
    78   1     0.08  -0.05   0.08    -0.15   0.06  -0.11     0.09  -0.04   0.07
    79   1    -0.01  -0.13   0.11     0.02   0.17  -0.16    -0.01  -0.07   0.07
    80   1     0.04   0.02  -0.04     0.13   0.05  -0.14     0.02  -0.00  -0.02
    81   1    -0.01   0.05  -0.03    -0.02   0.13  -0.09     0.02  -0.04   0.02
    82   1    -0.06   0.03   0.02    -0.07   0.04   0.01     0.08  -0.04  -0.04
    83   1    -0.05  -0.03   0.07    -0.06  -0.02   0.07     0.10   0.05  -0.11
    84   1    -0.02  -0.07   0.07    -0.02  -0.06   0.07     0.01   0.04  -0.04
    85   1     0.05  -0.07   0.02     0.03  -0.05   0.02    -0.01  -0.00   0.01
    86   1     0.07  -0.00  -0.05    -0.00  -0.01   0.01    -0.19   0.01   0.15
    87   1     0.02   0.06  -0.07    -0.00  -0.04   0.04    -0.04  -0.18   0.18
    88   1     0.08  -0.07  -0.11    -0.17   0.14   0.23    -0.10   0.08   0.14
    89   1    -0.02  -0.06  -0.07     0.10   0.17   0.17     0.09   0.14   0.13
    90   1     0.01  -0.01  -0.01     0.09   0.02  -0.01     0.05   0.01  -0.01
    91   1     0.02  -0.04  -0.06     0.07  -0.05  -0.09     0.07  -0.05  -0.10
    92   1    -0.02  -0.17  -0.21     0.01  -0.04  -0.05    -0.01  -0.09  -0.10
    93   1    -0.22  -0.12  -0.07    -0.02  -0.03  -0.02    -0.07  -0.05  -0.03
    94   1    -0.25   0.09   0.20     0.07  -0.04  -0.07    -0.07   0.01   0.04
    95   1     0.02   0.27   0.31    -0.02  -0.11  -0.13    -0.00   0.03   0.04
    96  17    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    199                    200                    201
                      A                      A                      A
 Frequencies --   1370.5330              1374.2338              1383.3245
 Red. masses --      3.6640                 3.7780                 4.6740
 Frc consts  --      4.0549                 4.2037                 5.2697
 IR Inten    --   1500.1035                53.2510                94.3197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.00     0.09   0.03   0.00    -0.02   0.07   0.01
     2   6    -0.03   0.07   0.00    -0.01  -0.08  -0.00    -0.01  -0.02  -0.00
     3   6     0.05   0.01   0.00    -0.03  -0.01  -0.00    -0.02  -0.03  -0.00
     4   6    -0.01  -0.10  -0.00     0.08   0.00   0.00     0.04  -0.00   0.00
     5   6    -0.01   0.02   0.00     0.00  -0.09  -0.01     0.01  -0.02  -0.00
     6   6     0.07   0.01   0.00     0.00   0.01   0.00    -0.03   0.01   0.00
     7   6     0.03  -0.01   0.00    -0.05   0.05   0.00     0.04  -0.00   0.00
     8   6     0.08   0.13   0.01     0.13   0.01   0.00     0.02   0.07   0.00
     9   6    -0.09  -0.12  -0.01    -0.12  -0.06  -0.01    -0.06  -0.03  -0.00
    10   6    -0.02   0.11   0.01    -0.07   0.08   0.00    -0.04   0.01   0.00
    11   6    -0.07  -0.07   0.00    -0.01   0.03   0.00    -0.04  -0.00   0.00
    12   6    -0.09   0.02  -0.00    -0.01  -0.09  -0.00     0.04  -0.01  -0.01
    13   6     0.04  -0.03  -0.00    -0.03  -0.00  -0.00     0.06  -0.00   0.00
    14   6    -0.02  -0.05  -0.00     0.03   0.03   0.00    -0.03  -0.01   0.00
    15   7    -0.01   0.02   0.00    -0.00  -0.02  -0.00     0.02   0.00   0.00
    16   6     0.01   0.07   0.00     0.00   0.06   0.00     0.01   0.00   0.00
    17   6     0.01  -0.13  -0.00     0.02  -0.08  -0.00    -0.01  -0.04  -0.00
    18   7    -0.02   0.02   0.00    -0.00   0.03   0.00     0.01   0.02   0.00
    19   6    -0.01   0.00  -0.00     0.06  -0.03   0.00     0.01   0.01   0.00
    20   6    -0.02  -0.03  -0.00    -0.01  -0.01  -0.00    -0.02  -0.01  -0.00
    21   6    -0.06  -0.02  -0.00     0.00   0.11   0.01    -0.02  -0.01   0.00
    22   6    -0.01   0.04   0.00     0.05  -0.03  -0.00     0.01   0.01   0.00
    23   7     0.03  -0.03  -0.00    -0.09   0.08   0.00     0.06  -0.03  -0.02
    24   7     0.14   0.05   0.00     0.04   0.02   0.00    -0.04  -0.06   0.04
    25   7     0.12   0.04   0.00    -0.10  -0.04  -0.00     0.03   0.00  -0.01
    26   6     0.01  -0.06   0.06    -0.02  -0.01   0.00    -0.10   0.09  -0.12
    27   6    -0.06  -0.07   0.04     0.03  -0.00   0.01     0.15   0.11  -0.05
    28   6    -0.05   0.02  -0.04    -0.08  -0.00  -0.02    -0.05  -0.04   0.02
    29   6    -0.03   0.03  -0.04     0.01   0.04  -0.04     0.01   0.03  -0.02
    30   6     0.01   0.01  -0.02    -0.04  -0.04   0.06     0.04   0.01  -0.04
    31   6    -0.01   0.03  -0.01     0.05  -0.09   0.03     0.01   0.05  -0.05
    32   6    -0.00  -0.01   0.01     0.01   0.02  -0.02    -0.14   0.04   0.07
    33   6    -0.01   0.00   0.01     0.04  -0.01  -0.03    -0.01  -0.12   0.11
    34   6     0.00  -0.03  -0.05     0.04   0.02   0.01     0.01  -0.01  -0.02
    35   6    -0.03  -0.04  -0.04    -0.03   0.01   0.02     0.00  -0.02  -0.02
    36   6    -0.06   0.01   0.04     0.10   0.01  -0.03    -0.07   0.00   0.03
    37   6    -0.02   0.03   0.05     0.01  -0.04  -0.06     0.01   0.05   0.05
    38   6     0.00   0.02  -0.02     0.02  -0.01   0.02     0.03  -0.03   0.04
    39   6     0.03   0.01   0.00     0.04   0.04  -0.03     0.02   0.04  -0.04
    40   6    -0.00  -0.02   0.02    -0.05  -0.01   0.00    -0.05  -0.00  -0.01
    41   6    -0.01   0.01  -0.01     0.02  -0.03   0.03     0.03  -0.03   0.04
    42   6    -0.01   0.01  -0.01    -0.00  -0.02   0.02    -0.00  -0.08   0.07
    43   6    -0.04   0.00  -0.02     0.01   0.01  -0.01     0.14   0.05   0.00
    44   6     0.06   0.01   0.01    -0.02   0.01  -0.02    -0.15   0.02  -0.07
    45   6     0.01   0.00   0.00    -0.00  -0.01   0.01    -0.01  -0.07   0.06
    46   6    -0.00  -0.00   0.01     0.01   0.02  -0.03     0.04   0.02  -0.05
    47   6     0.00   0.00  -0.01    -0.01  -0.02   0.02     0.06  -0.11   0.05
    48   6     0.01   0.00  -0.01    -0.02  -0.00   0.02    -0.09   0.08  -0.00
    49   6    -0.01  -0.00   0.01     0.03   0.01  -0.03     0.04   0.03  -0.06
    50   6    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.01   0.00   0.01
    51   6    -0.01   0.01   0.00     0.04  -0.02  -0.02    -0.03   0.02   0.01
    52   6     0.02  -0.01  -0.01    -0.05   0.03   0.02     0.03  -0.03  -0.00
    53   6     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    54   6     0.01   0.01   0.00    -0.02  -0.00   0.00     0.02  -0.01  -0.02
    55   6     0.04   0.02   0.01    -0.05  -0.04  -0.02     0.04   0.04   0.03
    56   6    -0.02  -0.02  -0.02     0.04   0.02   0.01    -0.05  -0.02  -0.00
    57   6    -0.00  -0.01  -0.01    -0.01   0.02   0.02     0.02  -0.02  -0.03
    58   6    -0.01  -0.00   0.00     0.01   0.04   0.05    -0.00   0.00   0.00
    59   6    -0.02   0.00   0.01    -0.02  -0.02  -0.02    -0.01  -0.00   0.00
    60   6     0.03   0.01  -0.00     0.03  -0.02  -0.03     0.01   0.01   0.00
    61   6     0.01  -0.00  -0.01    -0.01   0.02   0.03    -0.00  -0.00  -0.00
    62   1     0.05  -0.19  -0.00    -0.03  -0.01  -0.01     0.00  -0.08   0.00
    63   1    -0.04   0.12  -0.00    -0.10   0.23   0.01     0.02  -0.03  -0.00
    64   1    -0.19   0.06  -0.00    -0.28   0.07  -0.00    -0.02   0.01  -0.00
    65   1     0.18   0.22  -0.00     0.11   0.18   0.01     0.08   0.13   0.01
    66   1    -0.09  -0.01   0.01    -0.16   0.02   0.01    -0.19   0.05  -0.00
    67   1    -0.06  -0.10   0.00    -0.15  -0.16  -0.01    -0.21  -0.20  -0.02
    68   1     0.31  -0.04   0.01     0.18  -0.05   0.00     0.06  -0.01   0.00
    69   1     0.22  -0.03   0.00    -0.18   0.01  -0.01    -0.01   0.02   0.00
    70   1     0.07   0.09   0.01    -0.13  -0.16  -0.01     0.02   0.04   0.00
    71   1     0.23   0.00  -0.00     0.07  -0.04   0.01    -0.00   0.01   0.00
    72   1     0.10  -0.10   0.13     0.06  -0.07   0.09    -0.01   0.02  -0.01
    73   1    -0.06  -0.12   0.10    -0.08  -0.13   0.10    -0.02  -0.00  -0.00
    74   1     0.10  -0.01   0.04     0.05  -0.00   0.02     0.00   0.00  -0.01
    75   1     0.03  -0.05   0.05    -0.02   0.02  -0.03    -0.04   0.05  -0.07
    76   1    -0.01   0.04  -0.04     0.01   0.06  -0.06     0.01  -0.03   0.03
    77   1     0.09   0.08  -0.04     0.04   0.03  -0.01    -0.20  -0.14   0.06
    78   1    -0.17   0.08  -0.14     0.02  -0.00   0.01     0.25  -0.11   0.19
    79   1     0.03   0.17  -0.15    -0.00  -0.01   0.01    -0.02  -0.12   0.12
    80   1     0.02   0.01  -0.02    -0.08  -0.02   0.08     0.10   0.04  -0.12
    81   1     0.00   0.01  -0.01    -0.01  -0.04   0.04    -0.03   0.25  -0.19
    82   1     0.02  -0.01  -0.01    -0.09   0.03   0.04     0.21  -0.10  -0.07
    83   1     0.02   0.01  -0.02    -0.08  -0.04   0.10     0.05   0.04  -0.06
    84   1    -0.00  -0.01   0.01     0.02   0.02  -0.03    -0.03  -0.07   0.08
    85   1     0.01  -0.03   0.01    -0.04   0.09  -0.04     0.07  -0.11   0.04
    86   1    -0.05   0.00   0.04     0.18   0.00  -0.14    -0.12  -0.01   0.10
    87   1    -0.01  -0.05   0.04     0.03   0.17  -0.17    -0.02  -0.05   0.06
    88   1     0.09  -0.07  -0.12    -0.13   0.10   0.17     0.03  -0.03  -0.05
    89   1    -0.06  -0.11  -0.12     0.09   0.15   0.15    -0.05  -0.09  -0.09
    90   1     0.09  -0.00  -0.03    -0.08   0.01   0.03     0.10   0.01  -0.03
    91   1     0.02  -0.03  -0.04    -0.00   0.01   0.01     0.01  -0.02  -0.02
    92   1    -0.01   0.04   0.04    -0.00  -0.09  -0.10    -0.00   0.03   0.03
    93   1     0.06   0.05   0.04    -0.06  -0.04  -0.03     0.04   0.03   0.02
    94   1    -0.12   0.05   0.10    -0.01  -0.01  -0.01    -0.04   0.02   0.04
    95   1     0.02   0.11   0.13    -0.01  -0.05  -0.06    -0.00   0.02   0.03
    96  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    202                    203                    204
                      A                      A                      A
 Frequencies --   1384.7646              1386.5706              1388.5352
 Red. masses --      4.9208                 5.4332                 4.8601
 Frc consts  --      5.5595                 6.1544                 5.5209
 IR Inten    --    119.1455                 4.4689                 2.6992
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.00    -0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.03   0.00     0.01   0.00   0.00    -0.00  -0.01   0.00
     3   6     0.04   0.05   0.00    -0.02  -0.02  -0.00    -0.03   0.01   0.00
     4   6    -0.08   0.01  -0.00    -0.00   0.01   0.00     0.05  -0.02  -0.00
     5   6    -0.03   0.02   0.00     0.00   0.01   0.00     0.01  -0.04  -0.00
     6   6     0.05  -0.02  -0.00    -0.01  -0.00  -0.00     0.01   0.02   0.00
     7   6     0.07  -0.05  -0.00     0.02   0.02   0.00    -0.01  -0.00   0.00
     8   6    -0.04   0.04   0.00     0.02  -0.02  -0.00     0.06   0.06   0.00
     9   6    -0.00   0.04   0.00    -0.04   0.01   0.00    -0.05  -0.09  -0.01
    10   6     0.02  -0.06  -0.00     0.02  -0.01   0.00    -0.00   0.09   0.00
    11   6    -0.04  -0.02   0.00     0.00   0.02   0.00    -0.03  -0.03  -0.00
    12   6     0.01   0.01  -0.01    -0.03  -0.02  -0.01     0.01   0.01   0.00
    13   6     0.05   0.00   0.00    -0.02   0.00  -0.00     0.03  -0.01  -0.00
    14   6    -0.03  -0.02  -0.00     0.01   0.00   0.00    -0.01  -0.01  -0.00
    15   7     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.02   0.00
    16   6     0.02  -0.02  -0.00     0.01  -0.01   0.00    -0.00   0.06   0.00
    17   6     0.00   0.04   0.00    -0.04   0.05   0.00    -0.01  -0.10  -0.00
    18   7     0.03  -0.00   0.00     0.03  -0.02  -0.00    -0.02   0.01   0.00
    19   6    -0.00   0.01   0.00     0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6    -0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.02  -0.00
    21   6    -0.02  -0.03   0.00     0.02  -0.00   0.01     0.00   0.03   0.01
    22   6    -0.04  -0.00   0.00    -0.03   0.00  -0.00     0.01   0.02  -0.00
    23   7    -0.06   0.04   0.01     0.01  -0.01   0.00    -0.03  -0.03   0.04
    24   7     0.00  -0.04   0.03     0.03  -0.02   0.03     0.01   0.02  -0.01
    25   7     0.07   0.00  -0.02     0.02  -0.06  -0.07     0.01  -0.03  -0.03
    26   6    -0.07   0.05  -0.07     0.05  -0.02   0.04    -0.08   0.03  -0.05
    27   6     0.10   0.06  -0.03    -0.01  -0.06   0.05     0.03   0.08  -0.06
    28   6    -0.07  -0.02   0.00    -0.15   0.03  -0.07     0.12  -0.04   0.07
    29   6     0.01   0.04  -0.04     0.04   0.13  -0.11    -0.05  -0.12   0.09
    30   6    -0.10  -0.02   0.09     0.02   0.01  -0.02     0.05   0.02  -0.05
    31   6     0.02  -0.11   0.08    -0.01   0.03  -0.02    -0.05   0.05  -0.01
    32   6     0.15  -0.03  -0.09    -0.02  -0.00   0.01     0.08  -0.05  -0.02
    33   6     0.01   0.13  -0.11    -0.00  -0.02   0.01     0.01   0.06  -0.06
    34   6     0.00  -0.01  -0.01    -0.15   0.08   0.15    -0.10   0.05   0.10
    35   6     0.01  -0.02  -0.03     0.16   0.12   0.09     0.09   0.09   0.07
    36   6    -0.10   0.00   0.04    -0.05  -0.05  -0.04     0.02  -0.03  -0.05
    37   6     0.01   0.07   0.08    -0.02   0.02   0.03    -0.03  -0.03  -0.02
    38   6     0.03  -0.03   0.03     0.04  -0.05   0.06    -0.03   0.05  -0.05
    39   6     0.03   0.04  -0.03     0.10   0.09  -0.05    -0.09  -0.08   0.05
    40   6    -0.05  -0.01  -0.00    -0.14  -0.04  -0.00     0.13   0.04   0.00
    41   6     0.03  -0.03   0.03     0.04  -0.06   0.07    -0.03   0.05  -0.06
    42   6    -0.00  -0.06   0.05    -0.01   0.02  -0.02     0.01  -0.04   0.04
    43   6     0.09   0.04  -0.00    -0.04  -0.01  -0.00     0.07   0.03  -0.00
    44   6    -0.09   0.02  -0.05     0.05   0.01   0.01    -0.08  -0.00  -0.03
    45   6    -0.01  -0.05   0.05    -0.01   0.00  -0.01     0.01  -0.02   0.03
    46   6    -0.04  -0.02   0.05     0.00   0.00  -0.00    -0.04  -0.01   0.04
    47   6    -0.07   0.12  -0.05     0.01  -0.01   0.00    -0.02   0.07  -0.04
    48   6     0.10  -0.09   0.00    -0.01   0.01  -0.00     0.06  -0.05  -0.00
    49   6    -0.04  -0.03   0.06     0.00   0.00  -0.00    -0.03  -0.01   0.04
    50   6     0.02   0.03  -0.04    -0.00  -0.01   0.01    -0.01  -0.04   0.04
    51   6     0.07  -0.06  -0.01    -0.02   0.02   0.00    -0.05   0.05  -0.00
    52   6    -0.09   0.05   0.03     0.02  -0.01  -0.01     0.06  -0.01  -0.04
    53   6     0.01   0.02  -0.03    -0.00  -0.01   0.01    -0.01  -0.04   0.04
    54   6     0.03  -0.02  -0.03     0.04  -0.02  -0.03     0.01   0.01   0.00
    55   6     0.06   0.05   0.03     0.01   0.03   0.03    -0.03  -0.01  -0.01
    56   6    -0.07  -0.03  -0.01    -0.04  -0.01   0.00     0.03   0.01   0.00
    57   6     0.02  -0.02  -0.03     0.03  -0.01  -0.02     0.00   0.01   0.01
    58   6    -0.01  -0.01  -0.02    -0.00  -0.09  -0.11     0.00  -0.05  -0.07
    59   6     0.00   0.01   0.01     0.19   0.07   0.01     0.12   0.05   0.01
    60   6     0.00   0.01   0.01    -0.18   0.01   0.09    -0.12   0.00   0.05
    61   6    -0.00  -0.01  -0.02    -0.01  -0.09  -0.10     0.00  -0.05  -0.06
    62   1     0.04  -0.09  -0.01     0.01  -0.01  -0.00     0.02  -0.07  -0.01
    63   1    -0.05   0.08   0.00     0.01  -0.02  -0.00    -0.04   0.11   0.00
    64   1    -0.08  -0.00   0.00     0.04  -0.01  -0.00    -0.11   0.04  -0.01
    65   1     0.02   0.06  -0.00    -0.08  -0.08  -0.01     0.14   0.17   0.01
    66   1    -0.10   0.03  -0.00     0.01  -0.01  -0.00    -0.09   0.01   0.00
    67   1    -0.03  -0.01  -0.00     0.09   0.09   0.01    -0.15  -0.15  -0.01
    68   1    -0.05  -0.01  -0.00    -0.01   0.02  -0.00     0.20  -0.03   0.01
    69   1    -0.02   0.01   0.00    -0.12   0.01   0.00     0.06  -0.02  -0.00
    70   1    -0.01   0.00   0.01    -0.06  -0.06   0.00     0.02   0.01   0.00
    71   1     0.01  -0.01  -0.00     0.03  -0.00   0.01     0.18  -0.00   0.01
    72   1     0.02  -0.01   0.02     0.05  -0.06   0.09    -0.02   0.04  -0.05
    73   1    -0.03  -0.04   0.03    -0.12  -0.22   0.18     0.10   0.20  -0.16
    74   1     0.06   0.00   0.01     0.27   0.01   0.07    -0.24  -0.01  -0.06
    75   1    -0.01   0.02  -0.02     0.03  -0.06   0.07    -0.03   0.06  -0.07
    76   1     0.00  -0.01   0.00    -0.01   0.05  -0.05     0.01  -0.04   0.04
    77   1    -0.13  -0.09   0.03     0.09   0.06  -0.03    -0.12  -0.08   0.03
    78   1     0.14  -0.06   0.10    -0.12   0.07  -0.10     0.16  -0.08   0.13
    79   1    -0.01  -0.05   0.05    -0.01   0.05  -0.05     0.01  -0.04   0.04
    80   1    -0.10  -0.05   0.12     0.02   0.01  -0.02    -0.03  -0.01   0.04
    81   1     0.03  -0.27   0.21    -0.00   0.04  -0.03     0.01  -0.09   0.07
    82   1    -0.25   0.12   0.08     0.04  -0.02  -0.01    -0.12   0.06   0.04
    83   1    -0.07  -0.05   0.10     0.02   0.01  -0.02    -0.02  -0.01   0.03
    84   1     0.04   0.08  -0.09    -0.01  -0.02   0.02     0.00  -0.00   0.00
    85   1    -0.12   0.19  -0.06     0.03  -0.05   0.01     0.06  -0.09   0.02
    86   1     0.23   0.01  -0.18    -0.05  -0.00   0.04    -0.06   0.00   0.04
    87   1     0.03   0.09  -0.10    -0.01  -0.02   0.02     0.00  -0.01   0.01
    88   1     0.07  -0.05  -0.09     0.01   0.01   0.01    -0.01   0.03   0.04
    89   1    -0.07  -0.13  -0.13     0.00   0.03   0.03     0.04   0.09   0.09
    90   1     0.17   0.01  -0.04     0.04   0.00  -0.01    -0.07  -0.01   0.02
    91   1     0.03  -0.04  -0.06    -0.01   0.03   0.04    -0.02   0.03   0.04
    92   1    -0.00   0.05   0.06     0.01  -0.05  -0.06     0.01  -0.05  -0.07
    93   1     0.04   0.03   0.02    -0.28  -0.18  -0.10    -0.20  -0.13  -0.07
    94   1    -0.05   0.03   0.05     0.27  -0.09  -0.22     0.18  -0.07  -0.15
    95   1     0.00   0.05   0.06    -0.01  -0.07  -0.10    -0.00  -0.04  -0.06
    96  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    205                    206                    207
                      A                      A                      A
 Frequencies --   1389.7238              1390.6133              1401.4055
 Red. masses --      6.6253                 5.6891                 6.0119
 Frc consts  --      7.5389                 6.4820                 6.9565
 IR Inten    --      7.4080                19.5967               233.0294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.06  -0.02    -0.01  -0.01   0.00    -0.14   0.16   0.00
     2   6     0.03  -0.09   0.00    -0.01   0.03   0.00    -0.00  -0.01  -0.00
     3   6    -0.11   0.02   0.00     0.04   0.00   0.00    -0.11  -0.10  -0.01
     4   6     0.10   0.06   0.00    -0.06  -0.01  -0.00     0.17  -0.03   0.00
     5   6     0.04  -0.10  -0.00    -0.00   0.02   0.00     0.09  -0.02   0.00
     6   6    -0.08   0.03   0.00     0.02  -0.01  -0.00    -0.15   0.06   0.00
     7   6     0.04  -0.00   0.00     0.07  -0.03  -0.00    -0.04   0.03   0.00
     8   6    -0.00  -0.02  -0.00    -0.12   0.06   0.00     0.06   0.02   0.00
     9   6    -0.01   0.03   0.00     0.12  -0.02   0.00    -0.06  -0.05  -0.00
    10   6    -0.02  -0.01  -0.00     0.06  -0.00   0.00    -0.05   0.09   0.00
    11   6     0.00   0.00   0.00    -0.03  -0.05  -0.00     0.04   0.02   0.00
    12   6    -0.01   0.03  -0.01    -0.03   0.07  -0.01     0.04   0.03  -0.00
    13   6    -0.00  -0.00   0.00     0.05   0.01   0.00     0.00  -0.01  -0.00
    14   6    -0.01  -0.01  -0.00    -0.05  -0.07  -0.00     0.00   0.01   0.00
    15   7     0.02  -0.01   0.00    -0.00   0.05   0.00     0.01  -0.00   0.00
    16   6    -0.00  -0.03  -0.00    -0.03  -0.03  -0.00     0.01   0.01   0.00
    17   6     0.00  -0.00  -0.00     0.02  -0.03   0.00    -0.02  -0.07  -0.00
    18   7    -0.02   0.02   0.00    -0.06  -0.00  -0.00    -0.03   0.02   0.00
    19   6     0.00   0.01   0.00    -0.09   0.03  -0.00     0.01   0.01   0.00
    20   6    -0.00   0.00   0.00     0.02  -0.03   0.00    -0.02  -0.01  -0.00
    21   6     0.01  -0.01  -0.00    -0.01  -0.08  -0.02     0.00  -0.01  -0.00
    22   6     0.04  -0.00   0.00    -0.03   0.05   0.00     0.05   0.02   0.00
    23   7    -0.09  -0.05   0.10     0.00  -0.00  -0.00     0.24  -0.20  -0.01
    24   7    -0.00  -0.04   0.03     0.03  -0.04   0.04    -0.08  -0.04   0.01
    25   7    -0.05   0.01   0.02     0.06   0.09   0.07    -0.02   0.01   0.01
    26   6     0.01   0.01  -0.01    -0.03   0.03  -0.04     0.03   0.01  -0.00
    27   6     0.03  -0.01   0.02     0.06   0.02  -0.00     0.02  -0.01   0.01
    28   6    -0.09   0.01  -0.04    -0.09  -0.01  -0.02    -0.01   0.01  -0.02
    29   6     0.03   0.08  -0.06     0.01   0.07  -0.06     0.03   0.02  -0.01
    30   6     0.16   0.04  -0.15    -0.00   0.00   0.00    -0.10   0.05   0.02
    31   6    -0.12   0.17  -0.05     0.00  -0.00   0.00    -0.04  -0.04   0.06
    32   6     0.12  -0.10  -0.01    -0.00   0.00   0.00     0.03   0.05  -0.06
    33   6     0.04   0.09  -0.10    -0.00  -0.00   0.00    -0.07   0.09  -0.01
    34   6     0.07  -0.03  -0.06    -0.05  -0.03  -0.01     0.00  -0.00  -0.00
    35   6    -0.05  -0.05  -0.05    -0.06   0.03   0.05    -0.00   0.00   0.00
    36   6    -0.00   0.02   0.03     0.18  -0.02  -0.09     0.02   0.00  -0.01
    37   6     0.03   0.01   0.00    -0.07  -0.15  -0.15     0.00  -0.02  -0.02
    38   6     0.03  -0.04   0.04     0.03  -0.03   0.04     0.01  -0.03   0.03
    39   6     0.06   0.06  -0.04     0.05   0.05  -0.03     0.02   0.02  -0.02
    40   6    -0.09  -0.02  -0.00    -0.08  -0.03  -0.00    -0.04  -0.00  -0.01
    41   6     0.03  -0.04   0.04     0.02  -0.03   0.03     0.02  -0.02   0.03
    42   6    -0.01  -0.00   0.00    -0.01  -0.04   0.03     0.00   0.03  -0.02
    43   6     0.01   0.00   0.00     0.06   0.03  -0.00    -0.01  -0.02   0.01
    44   6    -0.00   0.01  -0.01    -0.05   0.02  -0.03     0.02  -0.01   0.01
    45   6    -0.01  -0.01   0.01    -0.01  -0.04   0.04    -0.01   0.01  -0.01
    46   6    -0.08  -0.01   0.07     0.00  -0.00   0.00    -0.03  -0.06   0.08
    47   6    -0.03   0.10  -0.06     0.00  -0.00   0.00    -0.02   0.08  -0.05
    48   6     0.09  -0.08  -0.00    -0.00   0.00  -0.00     0.10  -0.04  -0.04
    49   6    -0.05  -0.02   0.06    -0.00   0.00  -0.00    -0.08  -0.04   0.10
    50   6    -0.03  -0.10   0.11     0.00   0.00  -0.00     0.03   0.09  -0.10
    51   6    -0.15   0.15  -0.01     0.00  -0.00   0.00     0.06  -0.10   0.04
    52   6     0.17  -0.04  -0.10    -0.00  -0.00   0.00    -0.08   0.01   0.05
    53   6    -0.03  -0.11   0.11     0.00   0.00  -0.00     0.06   0.05  -0.08
    54   6    -0.01  -0.01  -0.01    -0.06   0.08   0.12    -0.01   0.00   0.01
    55   6     0.02   0.01   0.01    -0.13  -0.12  -0.10    -0.01  -0.01  -0.01
    56   6    -0.02  -0.00   0.01     0.21   0.05  -0.01     0.02   0.01   0.00
    57   6     0.01  -0.01  -0.02    -0.07   0.07   0.12    -0.00   0.00   0.00
    58   6     0.00   0.05   0.05     0.01  -0.02  -0.02     0.00   0.01   0.01
    59   6    -0.09  -0.04  -0.01     0.00   0.01   0.01    -0.01  -0.01  -0.00
    60   6     0.08  -0.01  -0.04    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    61   6    -0.00   0.04   0.05     0.03   0.01   0.00     0.00   0.01   0.01
    62   1    -0.03   0.12  -0.02     0.01  -0.04  -0.00     0.01  -0.07   0.01
    63   1    -0.02   0.09   0.00    -0.01   0.04   0.00     0.19  -0.30  -0.01
    64   1     0.02   0.02  -0.01    -0.03  -0.00  -0.00     0.38  -0.04  -0.00
    65   1    -0.11  -0.13  -0.01     0.00  -0.02  -0.01    -0.05  -0.09  -0.00
    66   1     0.05  -0.01  -0.01     0.08   0.00  -0.01    -0.01  -0.01  -0.01
    67   1     0.11   0.12   0.01     0.11   0.11   0.01    -0.11  -0.12  -0.01
    68   1     0.03  -0.01  -0.00     0.00   0.03   0.00     0.13  -0.01   0.00
    69   1    -0.08   0.03  -0.00     0.35  -0.04   0.00     0.01   0.02   0.00
    70   1     0.01   0.02  -0.00     0.22   0.24   0.00     0.05   0.09  -0.00
    71   1    -0.12   0.02  -0.00     0.07   0.04  -0.01    -0.05   0.04   0.00
    72   1     0.01  -0.01   0.02     0.03  -0.02   0.03    -0.05   0.04  -0.05
    73   1    -0.06  -0.10   0.08    -0.04  -0.08   0.06    -0.01  -0.01   0.01
    74   1     0.17   0.01   0.04     0.16   0.01   0.04     0.03   0.01  -0.00
    75   1     0.02  -0.03   0.04     0.03  -0.03   0.04    -0.01   0.02  -0.02
    76   1    -0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.04   0.04
    77   1    -0.02  -0.01   0.00    -0.09  -0.06   0.02    -0.02  -0.02   0.01
    78   1    -0.03   0.02  -0.02     0.03  -0.01   0.02    -0.02   0.00  -0.01
    79   1    -0.01   0.01  -0.01    -0.00   0.02  -0.01    -0.02  -0.05   0.04
    80   1    -0.06  -0.00   0.05     0.01   0.00  -0.01     0.19   0.04  -0.17
    81   1     0.02  -0.10   0.07    -0.00   0.01  -0.00     0.02  -0.08   0.05
    82   1    -0.20   0.10   0.06     0.00  -0.00  -0.00    -0.00   0.03  -0.03
    83   1    -0.03  -0.01   0.03     0.00   0.00  -0.00     0.10   0.04  -0.10
    84   1    -0.01  -0.04   0.04    -0.00  -0.01   0.01    -0.02  -0.09   0.08
    85   1     0.19  -0.28   0.07     0.00  -0.00   0.00    -0.05   0.03   0.02
    86   1    -0.22   0.01   0.17     0.00  -0.00  -0.00     0.07  -0.01  -0.05
    87   1    -0.00  -0.03   0.04    -0.00  -0.00   0.00    -0.02  -0.20   0.17
    88   1    -0.02   0.00   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    89   1    -0.02  -0.04  -0.04     0.12   0.20   0.20     0.00   0.01   0.02
    90   1     0.01   0.00   0.00    -0.35  -0.04   0.07    -0.07  -0.01   0.02
    91   1    -0.01   0.00   0.00    -0.03   0.03   0.06    -0.03   0.02   0.04
    92   1    -0.00   0.02   0.02     0.01   0.02   0.01     0.00  -0.01  -0.01
    93   1     0.13   0.08   0.04     0.02   0.02   0.02     0.01   0.00  -0.00
    94   1    -0.11   0.04   0.09     0.08  -0.03  -0.07     0.01  -0.01  -0.01
    95   1    -0.01  -0.01  -0.00     0.03   0.03   0.03    -0.00  -0.02  -0.03
    96  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    208                    209                    210
                      A                      A                      A
 Frequencies --   1407.9159              1410.3138              1448.7452
 Red. masses --      3.1578                 7.6212                 5.4895
 Frc consts  --      3.6880                 8.9312                 6.7884
 IR Inten    --     31.3006               244.4734                88.2517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.08   0.00
     2   6     0.01   0.00   0.00    -0.02   0.04   0.00    -0.05   0.04   0.00
     3   6    -0.02  -0.03  -0.00     0.06   0.01   0.00     0.01  -0.12  -0.01
     4   6     0.01  -0.01  -0.00    -0.08  -0.02  -0.00     0.01   0.02   0.00
     5   6     0.02   0.02   0.00    -0.01   0.03   0.00    -0.04   0.00  -0.00
     6   6    -0.03   0.01  -0.00     0.05  -0.02  -0.00     0.07  -0.04  -0.00
     7   6    -0.01   0.05   0.00     0.02  -0.06  -0.00     0.05   0.10   0.01
     8   6    -0.00  -0.03  -0.00    -0.19   0.07   0.00     0.01  -0.00  -0.00
     9   6     0.06  -0.01   0.00     0.29  -0.12  -0.00    -0.03  -0.14  -0.01
    10   6     0.05   0.02   0.00     0.16   0.08   0.01     0.02   0.13   0.01
    11   6     0.03  -0.02   0.00    -0.01  -0.05  -0.00    -0.06  -0.03  -0.00
    12   6    -0.16   0.04  -0.00     0.10   0.09   0.00    -0.03  -0.06  -0.00
    13   6    -0.11  -0.00  -0.00     0.12   0.02   0.01     0.09   0.01  -0.00
    14   6     0.05  -0.05  -0.00    -0.08  -0.06  -0.00    -0.04   0.01   0.00
    15   7    -0.03   0.01  -0.00    -0.09   0.09   0.00     0.11   0.04   0.00
    16   6    -0.02   0.02   0.00    -0.10   0.19   0.01    -0.11  -0.19  -0.01
    17   6    -0.01  -0.01  -0.00    -0.05  -0.19  -0.01    -0.05   0.23   0.01
    18   7    -0.05  -0.02  -0.00    -0.16  -0.02  -0.00     0.08  -0.11  -0.00
    19   6    -0.00  -0.03  -0.00     0.00  -0.09  -0.00    -0.18  -0.03  -0.00
    20   6     0.03   0.02   0.00     0.04  -0.04   0.00     0.16   0.11   0.01
    21   6     0.05   0.04   0.00     0.11   0.17   0.02     0.18  -0.09  -0.01
    22   6     0.02  -0.00  -0.00     0.09   0.01  -0.00    -0.13   0.05   0.00
    23   7     0.04  -0.01  -0.01     0.00  -0.01   0.00     0.01  -0.04   0.01
    24   7     0.20   0.02   0.03    -0.14  -0.05   0.00     0.02   0.03  -0.01
    25   7    -0.08  -0.04  -0.01    -0.20  -0.11  -0.04    -0.11  -0.03   0.01
    26   6    -0.06   0.01  -0.03     0.04   0.00   0.00    -0.01  -0.00   0.00
    27   6    -0.00   0.04  -0.04     0.02  -0.02   0.03    -0.01  -0.00   0.00
    28   6    -0.04  -0.03   0.02    -0.01   0.03  -0.03     0.00  -0.01   0.01
    29   6    -0.05   0.00  -0.02     0.04   0.03  -0.01     0.00  -0.00   0.00
    30   6    -0.01   0.00   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    31   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.01   0.01   0.00
    32   6    -0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    33   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    34   6     0.02   0.01   0.01     0.04   0.03   0.03    -0.00  -0.01  -0.00
    35   6     0.02  -0.00  -0.01     0.05   0.00  -0.02     0.03  -0.01  -0.02
    36   6     0.00   0.01   0.01    -0.00   0.03   0.04     0.02   0.02   0.02
    37   6     0.02   0.01   0.00     0.04   0.03   0.02     0.00   0.00  -0.00
    38   6     0.02   0.03  -0.02     0.01  -0.03   0.03    -0.01   0.01  -0.01
    39   6    -0.01  -0.02   0.02     0.02   0.03  -0.02    -0.00  -0.00   0.00
    40   6     0.02  -0.02   0.02    -0.05   0.00  -0.02     0.02   0.00   0.01
    41   6    -0.03   0.04  -0.05     0.03  -0.03   0.04    -0.01   0.00  -0.01
    42   6    -0.01  -0.07   0.06    -0.00   0.04  -0.03     0.01  -0.00   0.01
    43   6     0.08   0.05  -0.02    -0.03  -0.03   0.01    -0.01  -0.00   0.00
    44   6    -0.06   0.02  -0.04     0.03  -0.01   0.02    -0.00   0.00  -0.00
    45   6     0.02  -0.06   0.06    -0.01   0.02  -0.03     0.01   0.00  -0.00
    46   6     0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.02
    47   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.01
    49   6    -0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.01   0.00   0.01
    50   6     0.00   0.01  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    51   6     0.01  -0.02   0.01    -0.00   0.00   0.00    -0.01   0.01   0.00
    52   6    -0.01   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6     0.01   0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    54   6     0.01  -0.02  -0.03     0.02  -0.05  -0.07    -0.00  -0.02  -0.02
    55   6     0.01   0.02   0.02     0.03   0.04   0.04     0.00   0.01   0.01
    56   6    -0.03   0.00   0.01    -0.08  -0.00   0.03    -0.00   0.01   0.01
    57   6     0.02  -0.02  -0.03     0.05  -0.04  -0.07     0.02  -0.02  -0.03
    58   6     0.00   0.02   0.03    -0.00   0.05   0.06     0.01   0.03   0.04
    59   6    -0.01  -0.01  -0.01    -0.00  -0.02  -0.03    -0.02  -0.02  -0.02
    60   6     0.01  -0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.01  -0.02
    61   6    -0.01   0.01   0.02    -0.03   0.01   0.03    -0.01   0.03   0.04
    62   1    -0.01   0.09   0.00     0.02  -0.09  -0.00     0.06  -0.32  -0.01
    63   1     0.05  -0.07  -0.00    -0.03   0.08   0.00    -0.05   0.04  -0.00
    64   1     0.15  -0.02   0.00    -0.10   0.01  -0.00    -0.29   0.03  -0.01
    65   1    -0.11  -0.19  -0.03     0.13   0.10   0.01     0.19   0.29   0.01
    66   1     0.44  -0.11  -0.01    -0.04   0.06  -0.00    -0.29   0.08   0.01
    67   1     0.46   0.38   0.03    -0.14  -0.12  -0.01    -0.07  -0.03  -0.00
    68   1     0.04   0.02  -0.00     0.01  -0.01   0.00    -0.09   0.26   0.02
    69   1    -0.04  -0.03  -0.00     0.23  -0.14  -0.01     0.08  -0.09   0.00
    70   1    -0.06  -0.10  -0.01     0.00  -0.10  -0.01     0.02  -0.10  -0.01
    71   1     0.02  -0.00   0.01     0.26  -0.01   0.02     0.02   0.04  -0.00
    72   1     0.10  -0.06   0.09    -0.07   0.05  -0.07     0.02  -0.03   0.04
    73   1     0.03   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    74   1     0.11  -0.01   0.04     0.02   0.01  -0.01    -0.04  -0.01  -0.00
    75   1     0.08  -0.08   0.10    -0.03   0.02  -0.03    -0.00  -0.01  -0.00
    76   1    -0.00   0.04  -0.03    -0.01  -0.04   0.03     0.01   0.02  -0.02
    77   1    -0.09  -0.04   0.00     0.01  -0.00   0.01     0.04   0.03  -0.01
    78   1     0.01  -0.00   0.01    -0.02   0.01  -0.02     0.03  -0.01   0.02
    79   1     0.03   0.15  -0.13    -0.02  -0.07   0.06     0.01   0.00   0.00
    80   1     0.02   0.00  -0.02     0.00   0.00  -0.00     0.04   0.02  -0.04
    81   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.02
    82   1     0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.03   0.00
    83   1     0.03   0.01  -0.03    -0.00   0.00   0.00     0.00   0.01  -0.00
    84   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.03   0.03
    85   1    -0.01   0.02  -0.00     0.01  -0.01   0.00     0.04  -0.05   0.01
    86   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.03  -0.01  -0.02
    87   1    -0.01  -0.03   0.03     0.00  -0.00   0.00     0.01  -0.01   0.00
    88   1    -0.05   0.04   0.06    -0.14   0.10   0.16    -0.06   0.03   0.06
    89   1    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.02  -0.01  -0.01
    90   1     0.01   0.01   0.01     0.05   0.02   0.01    -0.07  -0.01   0.02
    91   1    -0.02   0.02   0.03    -0.05   0.05   0.07    -0.06   0.05   0.07
    92   1    -0.01  -0.04  -0.05    -0.02  -0.11  -0.13    -0.00  -0.07  -0.08
    93   1    -0.03  -0.02  -0.02    -0.10  -0.08  -0.06    -0.01  -0.02  -0.02
    94   1    -0.01  -0.00   0.00    -0.03  -0.00   0.01     0.01  -0.01  -0.02
    95   1    -0.02  -0.05  -0.06    -0.04  -0.12  -0.12    -0.02  -0.10  -0.11
    96  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    211                    212                    213
                      A                      A                      A
 Frequencies --   1459.4128              1465.2287              1474.8841
 Red. masses --      3.5821                 2.7590                 3.5124
 Frc consts  --      4.4952                 3.4899                 4.5016
 IR Inten    --    109.6004               184.8014               405.6974
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.04  -0.00    -0.04  -0.10  -0.00     0.02   0.14   0.00
     2   6     0.10  -0.10  -0.00     0.06  -0.02   0.00    -0.06  -0.05  -0.00
     3   6    -0.09   0.09   0.00    -0.05   0.11   0.00     0.09  -0.07  -0.00
     4   6    -0.02  -0.08  -0.00     0.01  -0.06  -0.00    -0.06   0.05   0.00
     5   6     0.10  -0.07  -0.00     0.05  -0.02  -0.00     0.02  -0.05  -0.00
     6   6    -0.09   0.10   0.00    -0.04   0.06   0.00    -0.01  -0.01  -0.00
     7   6     0.17   0.08   0.01    -0.02  -0.05  -0.00     0.05   0.04   0.00
     8   6    -0.06  -0.10  -0.01     0.05   0.01   0.00    -0.07  -0.00  -0.00
     9   6     0.07   0.01   0.00    -0.05   0.05   0.00     0.06   0.07   0.00
    10   6    -0.04   0.05   0.00    -0.00   0.01   0.00    -0.03  -0.08  -0.00
    11   6    -0.14  -0.05  -0.00     0.00  -0.02  -0.00    -0.02   0.05   0.00
    12   6    -0.01  -0.10  -0.00     0.05   0.05   0.00    -0.01  -0.11  -0.00
    13   6     0.13   0.05   0.00     0.00   0.00   0.00    -0.01   0.03   0.00
    14   6    -0.09   0.00  -0.00    -0.04  -0.02  -0.00     0.02   0.00   0.00
    15   7    -0.03  -0.01  -0.00     0.01   0.03   0.00    -0.01   0.01   0.00
    16   6     0.02   0.04   0.00    -0.03  -0.07  -0.00    -0.03  -0.01  -0.00
    17   6    -0.04   0.03   0.00     0.15  -0.01   0.00     0.17  -0.03   0.00
    18   7     0.04  -0.03  -0.00    -0.06   0.03   0.00    -0.05   0.05   0.00
    19   6     0.03  -0.00   0.00    -0.12  -0.03  -0.00    -0.05  -0.01  -0.00
    20   6    -0.03  -0.02  -0.00     0.12   0.08   0.01     0.06  -0.00   0.00
    21   6    -0.02   0.01   0.00     0.04  -0.01  -0.00    -0.04   0.07   0.00
    22   6     0.03  -0.01  -0.00    -0.13   0.01  -0.00    -0.07  -0.04  -0.00
    23   7     0.03   0.01  -0.01    -0.00   0.03  -0.01    -0.00  -0.02   0.01
    24   7     0.02   0.04  -0.01    -0.03  -0.02   0.00    -0.00   0.01  -0.01
    25   7     0.01   0.00  -0.00    -0.02  -0.02  -0.00     0.00  -0.02  -0.01
    26   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.03   0.03  -0.02
    27   6    -0.03  -0.02   0.01     0.02   0.00   0.01    -0.04  -0.02   0.00
    28   6    -0.01  -0.02   0.02     0.01   0.01  -0.01    -0.03  -0.03   0.02
    29   6     0.03   0.01   0.00    -0.01  -0.00  -0.00     0.06   0.01   0.01
    30   6     0.00  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.04   0.02
    31   6     0.00  -0.02   0.01     0.01  -0.01   0.01    -0.04   0.04   0.00
    32   6    -0.01  -0.00   0.01    -0.01  -0.01   0.02    -0.02   0.05  -0.02
    33   6    -0.02   0.01   0.00    -0.01   0.01   0.00     0.06  -0.04  -0.02
    34   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.05   0.02   0.01
    35   6    -0.00   0.00   0.00     0.01   0.00  -0.00    -0.03   0.01   0.02
    36   6    -0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.01   0.01
    37   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00     0.03  -0.00  -0.02
    38   6    -0.02   0.03  -0.03     0.01  -0.02   0.02    -0.02   0.04  -0.04
    39   6     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.02
    40   6     0.03  -0.01   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    41   6    -0.03   0.01  -0.02     0.01  -0.01   0.02    -0.04   0.03  -0.04
    42   6     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.01  -0.03   0.03
    43   6    -0.03  -0.01   0.00     0.00  -0.00   0.00    -0.03  -0.02   0.00
    44   6    -0.01   0.02  -0.02     0.01  -0.01   0.01    -0.02   0.03  -0.03
    45   6     0.02   0.00   0.00    -0.01   0.01  -0.01     0.03  -0.01   0.02
    46   6     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.04  -0.04   0.06
    47   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.02   0.02  -0.03
    48   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.01   0.01  -0.02
    49   6     0.01  -0.01  -0.00     0.02  -0.01  -0.01    -0.05  -0.01   0.05
    50   6    -0.01   0.00   0.00    -0.01   0.00   0.01     0.02   0.03  -0.04
    51   6     0.02  -0.03   0.01     0.01  -0.02   0.00    -0.03   0.03  -0.00
    52   6     0.00   0.01  -0.01     0.01   0.00  -0.01    -0.03  -0.02   0.04
    53   6    -0.01   0.02  -0.01    -0.01   0.01  -0.01     0.03   0.00  -0.03
    54   6     0.00   0.00   0.00     0.01  -0.01  -0.01     0.02   0.02   0.01
    55   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02  -0.03
    56   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04  -0.01   0.01
    57   6    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.02   0.03
    58   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.02  -0.03  -0.04
    59   6     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.01   0.02
    60   6    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.02   0.02
    61   6     0.00  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.03  -0.04
    62   1    -0.03   0.37   0.02    -0.00   0.23   0.01    -0.08   0.01   0.00
    63   1     0.02   0.23   0.01     0.03   0.06   0.00    -0.05   0.15   0.01
    64   1     0.26   0.05   0.01     0.23   0.01   0.01    -0.18   0.02  -0.01
    65   1     0.13   0.31   0.02    -0.00  -0.03   0.00    -0.02   0.06   0.00
    66   1    -0.34   0.14   0.02     0.09  -0.01  -0.00    -0.05   0.04   0.01
    67   1     0.10   0.24   0.02     0.02   0.05   0.00    -0.10  -0.12  -0.01
    68   1    -0.25   0.02  -0.01     0.69  -0.28  -0.00     0.22  -0.17  -0.00
    69   1     0.04  -0.00   0.00    -0.06  -0.05  -0.00     0.02  -0.02  -0.00
    70   1     0.00   0.02   0.00    -0.08  -0.20  -0.01    -0.04  -0.13  -0.00
    71   1    -0.08  -0.00  -0.00     0.26  -0.05   0.00     0.18  -0.09  -0.00
    72   1     0.07  -0.08   0.10    -0.04   0.04  -0.05     0.10  -0.10   0.13
    73   1    -0.02  -0.05   0.04    -0.00   0.01  -0.01     0.01  -0.03   0.03
    74   1    -0.03  -0.01   0.01    -0.02   0.00  -0.01     0.06  -0.00   0.03
    75   1     0.03  -0.06   0.07    -0.03   0.04  -0.05     0.08  -0.11   0.14
    76   1     0.03   0.09  -0.09    -0.01  -0.05   0.04     0.03   0.12  -0.11
    77   1     0.14   0.08  -0.03    -0.04  -0.03   0.01     0.16   0.09  -0.03
    78   1     0.08  -0.01   0.04    -0.02  -0.00  -0.01     0.11  -0.01   0.05
    79   1     0.03   0.03  -0.02    -0.01  -0.04   0.03     0.04   0.06  -0.05
    80   1    -0.03  -0.02   0.04    -0.04  -0.03   0.05     0.16   0.06  -0.16
    81   1     0.01  -0.05   0.03     0.01  -0.05   0.03     0.03   0.02  -0.03
    82   1     0.05  -0.03  -0.01     0.05  -0.04  -0.01     0.08  -0.03  -0.04
    83   1    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.14   0.08  -0.18
    84   1    -0.00   0.04  -0.03    -0.01   0.03  -0.02    -0.02  -0.15   0.14
    85   1    -0.07   0.08  -0.01    -0.05   0.06  -0.01     0.14  -0.17   0.04
    86   1    -0.06   0.01   0.03    -0.06   0.01   0.03     0.11  -0.04  -0.05
    87   1    -0.02  -0.01   0.02    -0.01  -0.01   0.02     0.01  -0.10   0.07
    88   1     0.00  -0.00  -0.00    -0.02   0.02   0.03     0.05  -0.01  -0.02
    89   1     0.00   0.00   0.00     0.01   0.02   0.01     0.08   0.07   0.06
    90   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.17   0.03  -0.02
    91   1     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.08  -0.05  -0.09
    92   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.00   0.10   0.12
    93   1    -0.00   0.00   0.00    -0.03  -0.02  -0.01     0.02   0.02   0.02
    94   1     0.00  -0.00  -0.00    -0.03   0.00   0.01    -0.03   0.02   0.04
    95   1     0.00   0.00   0.00    -0.01  -0.01  -0.01     0.01   0.11   0.13
    96  17     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    214                    215                    216
                      A                      A                      A
 Frequencies --   1484.1376              1485.2270              1489.7527
 Red. masses --      2.8380                 2.6302                 3.2089
 Frc consts  --      3.6831                 3.4184                 4.1960
 IR Inten    --    465.0739                11.4474               491.6626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.00   0.02   0.00    -0.01   0.09   0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03  -0.03  -0.00
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.00     0.05  -0.04  -0.00
     4   6    -0.05   0.01  -0.00    -0.02   0.01   0.00    -0.00   0.01   0.00
     5   6     0.01  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.04   0.00   0.00     0.01  -0.02  -0.00     0.02   0.03   0.00
     8   6    -0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.04  -0.01  -0.00
     9   6    -0.03   0.05   0.00    -0.03   0.04   0.00     0.07   0.02   0.00
    10   6     0.06  -0.04  -0.00     0.03  -0.04  -0.00    -0.09  -0.03  -0.00
    11   6    -0.02   0.03   0.00     0.01   0.03   0.00    -0.01   0.00   0.00
    12   6    -0.02  -0.06  -0.00     0.02  -0.02  -0.00    -0.03  -0.03  -0.00
    13   6     0.00   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.01   0.00
    14   6    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00  -0.01  -0.00
    15   7    -0.00  -0.01  -0.00    -0.01   0.00   0.00    -0.00  -0.01  -0.00
    16   6     0.03   0.01   0.00     0.03   0.00   0.00    -0.01   0.00  -0.00
    17   6    -0.04  -0.03  -0.00    -0.01  -0.03  -0.00     0.11   0.02   0.00
    18   7    -0.02   0.00  -0.00    -0.01   0.01   0.00     0.01   0.02   0.00
    19   6     0.02   0.00   0.00    -0.01   0.00  -0.00    -0.04   0.01  -0.00
    20   6    -0.03   0.00  -0.00    -0.00   0.01  -0.00     0.03  -0.03  -0.00
    21   6     0.01  -0.04  -0.00     0.00  -0.03  -0.00    -0.07   0.07   0.00
    22   6     0.01   0.02   0.00    -0.01   0.02   0.00    -0.03  -0.05  -0.00
    23   7    -0.05   0.04   0.00     0.02  -0.02   0.00     0.06  -0.06  -0.00
    24   7     0.05   0.02  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.00
    25   7     0.05   0.02   0.00     0.06   0.02   0.00     0.06   0.01   0.00
    26   6    -0.06  -0.03   0.02     0.06   0.06  -0.03    -0.06  -0.05   0.03
    27   6     0.03   0.00   0.01    -0.05  -0.02   0.00     0.04   0.01   0.00
    28   6     0.04   0.00   0.01    -0.05  -0.02   0.00     0.04   0.00   0.01
    29   6    -0.05   0.01  -0.03     0.09  -0.00   0.03    -0.06   0.01  -0.03
    30   6     0.04  -0.08   0.03    -0.02   0.04  -0.01    -0.05   0.07  -0.02
    31   6    -0.04   0.03   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    32   6    -0.04   0.04  -0.00     0.02  -0.02  -0.00     0.04  -0.01  -0.02
    33   6     0.08  -0.03  -0.04    -0.04   0.01   0.02    -0.06   0.01   0.04
    34   6    -0.07  -0.05  -0.03    -0.07  -0.05  -0.04    -0.00  -0.03  -0.04
    35   6     0.05   0.01  -0.01     0.06   0.01  -0.01     0.02   0.04   0.04
    36   6     0.05   0.01  -0.00     0.05   0.02  -0.00     0.02   0.03   0.03
    37   6    -0.07   0.00   0.03    -0.08   0.00   0.03    -0.08  -0.02   0.01
    38   6    -0.01  -0.02   0.02    -0.01   0.05  -0.05    -0.01  -0.03   0.03
    39   6    -0.00   0.04  -0.04     0.01  -0.05   0.05    -0.00   0.05  -0.04
    40   6     0.04   0.00   0.01    -0.03  -0.01   0.00     0.04   0.00   0.01
    41   6     0.00  -0.02   0.02    -0.03   0.04  -0.05     0.01  -0.03   0.03
    42   6     0.01   0.04  -0.03     0.01  -0.04   0.04     0.00   0.04  -0.04
    43   6     0.01  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.01  -0.00
    44   6     0.01  -0.03   0.03    -0.03   0.04  -0.05     0.01  -0.04   0.04
    45   6    -0.01   0.04  -0.04     0.03  -0.03   0.04    -0.02   0.04  -0.04
    46   6    -0.02  -0.04   0.05     0.00   0.02  -0.02    -0.01   0.03  -0.02
    47   6     0.02   0.04  -0.05    -0.01  -0.02   0.03    -0.01  -0.05   0.05
    48   6    -0.03   0.02   0.00     0.02  -0.01  -0.00     0.05  -0.02  -0.02
    49   6    -0.04  -0.02   0.05     0.01   0.01  -0.02     0.00   0.02  -0.02
    50   6     0.02   0.04  -0.05    -0.01  -0.02   0.02    -0.01  -0.05   0.04
    51   6    -0.02   0.02  -0.00     0.01  -0.01  -0.00     0.02  -0.01  -0.01
    52   6    -0.03  -0.03   0.05     0.01   0.01  -0.02     0.02   0.03  -0.04
    53   6     0.04   0.02  -0.05    -0.02  -0.02   0.03    -0.03  -0.04   0.05
    54   6    -0.01  -0.04  -0.04    -0.01  -0.04  -0.05     0.04  -0.04  -0.06
    55   6    -0.00   0.04   0.05    -0.01   0.04   0.06    -0.02   0.01   0.02
    56   6     0.04   0.01  -0.01     0.04   0.01  -0.01    -0.01   0.01   0.02
    57   6     0.01  -0.03  -0.04     0.02  -0.03  -0.05     0.05  -0.02  -0.05
    58   6     0.01   0.05   0.06     0.00   0.05   0.06    -0.03  -0.01   0.00
    59   6     0.02   0.00  -0.01     0.03   0.01  -0.00     0.04   0.04   0.04
    60   6     0.01  -0.03  -0.05     0.02  -0.04  -0.05     0.04  -0.02  -0.05
    61   6    -0.02   0.04   0.06    -0.03   0.04   0.06    -0.04  -0.02  -0.01
    62   1    -0.01   0.04   0.00     0.00  -0.03  -0.00    -0.06   0.03   0.00
    63   1    -0.01   0.07   0.01     0.01  -0.04  -0.00    -0.01   0.03  -0.00
    64   1     0.01   0.00   0.00     0.00  -0.02  -0.00    -0.08   0.01  -0.00
    65   1    -0.04   0.00  -0.00    -0.06  -0.05  -0.00     0.01   0.03   0.00
    66   1    -0.06   0.03   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
    67   1    -0.01  -0.01   0.00    -0.11  -0.13  -0.01     0.06   0.05   0.01
    68   1     0.13  -0.07  -0.00     0.19  -0.11  -0.00    -0.17   0.01  -0.00
    69   1    -0.04   0.02   0.00    -0.02   0.01   0.00     0.14  -0.02   0.00
    70   1     0.00   0.05   0.00     0.00   0.02   0.00     0.02  -0.05  -0.00
    71   1    -0.02   0.03   0.00     0.03   0.01   0.00     0.07  -0.08  -0.00
    72   1    -0.06   0.02  -0.04     0.13  -0.10   0.13    -0.07   0.03  -0.05
    73   1    -0.09  -0.09   0.05     0.09   0.05  -0.02    -0.11  -0.10   0.06
    74   1    -0.18  -0.03  -0.03     0.21   0.02   0.04    -0.20  -0.04  -0.03
    75   1    -0.09   0.07  -0.10     0.14  -0.15   0.20    -0.10   0.08  -0.12
    76   1    -0.01  -0.14   0.14     0.04   0.18  -0.17    -0.02  -0.16   0.16
    77   1    -0.09  -0.06   0.03     0.21   0.11  -0.04    -0.14  -0.08   0.03
    78   1    -0.03  -0.02   0.01     0.14  -0.00   0.05    -0.07  -0.01  -0.01
    79   1    -0.03  -0.12   0.10     0.05   0.12  -0.10    -0.04  -0.12   0.10
    80   1     0.14   0.03  -0.13    -0.05  -0.00   0.04    -0.05   0.02   0.02
    81   1     0.07  -0.09   0.03    -0.04   0.06  -0.02    -0.07   0.17  -0.09
    82   1     0.19  -0.12  -0.05    -0.10   0.06   0.02    -0.18   0.13   0.03
    83   1     0.17   0.07  -0.20    -0.08  -0.02   0.08    -0.10  -0.01   0.10
    84   1    -0.04  -0.18   0.19     0.02   0.09  -0.09     0.05   0.16  -0.18
    85   1     0.13  -0.17   0.04    -0.05   0.07  -0.02    -0.08   0.11  -0.03
    86   1     0.10  -0.05  -0.03    -0.03   0.02   0.01    -0.02   0.04  -0.02
    87   1    -0.01  -0.14   0.12     0.01   0.07  -0.06     0.02   0.14  -0.14
    88   1    -0.10   0.04   0.08    -0.11   0.05   0.10    -0.12   0.11   0.18
    89   1    -0.11  -0.09  -0.07    -0.11  -0.08  -0.06     0.02   0.07   0.08
    90   1    -0.23  -0.05   0.03    -0.24  -0.04   0.03    -0.05   0.01   0.03
    91   1    -0.13   0.09   0.16    -0.14   0.10   0.18    -0.11   0.12   0.19
    92   1    -0.02  -0.17  -0.21    -0.02  -0.18  -0.22    -0.04  -0.02  -0.02
    93   1    -0.14  -0.08  -0.05    -0.17  -0.10  -0.05    -0.21  -0.09  -0.02
    94   1    -0.06  -0.02  -0.00    -0.09  -0.02   0.01    -0.23   0.04   0.13
    95   1    -0.04  -0.14  -0.16    -0.04  -0.14  -0.15    -0.04   0.04   0.06
    96  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    217                    218                    219
                      A                      A                      A
 Frequencies --   1493.1825              1497.7647              1499.6009
 Red. masses --      2.7163                 2.3214                 2.5315
 Frc consts  --      3.5683                 3.0682                 3.3541
 IR Inten    --     56.6280                51.7612                46.9869
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.00     0.01   0.01  -0.01    -0.00   0.07  -0.00
     2   6    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02  -0.02  -0.00
     3   6    -0.00  -0.03  -0.00     0.00  -0.02  -0.00     0.04  -0.03  -0.00
     4   6    -0.04   0.01   0.00     0.01   0.02   0.00    -0.02   0.03   0.00
     5   6     0.00   0.03   0.00    -0.01  -0.00  -0.00     0.01  -0.03  -0.00
     6   6    -0.01  -0.02  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     7   6     0.06   0.01   0.00    -0.00  -0.01  -0.00     0.02   0.02   0.00
     8   6    -0.02   0.00   0.00    -0.00   0.02   0.00    -0.03  -0.01  -0.00
     9   6    -0.03   0.06   0.00    -0.01  -0.00  -0.00     0.04   0.02   0.00
    10   6     0.10  -0.04  -0.00     0.01  -0.00   0.00    -0.03  -0.03  -0.00
    11   6    -0.02   0.04   0.00     0.01   0.01   0.00    -0.01   0.02   0.00
    12   6    -0.01  -0.08  -0.01    -0.00   0.00  -0.00    -0.01  -0.05   0.00
    13   6    -0.01   0.03   0.00    -0.01  -0.00   0.00    -0.00   0.01  -0.00
    14   6    -0.00  -0.01  -0.00     0.01  -0.00   0.00     0.01   0.01   0.00
    15   7    -0.01   0.01   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00   0.00     0.00  -0.01  -0.00    -0.02   0.01   0.00
    17   6    -0.04  -0.05  -0.00    -0.01   0.00   0.00     0.05  -0.01   0.00
    18   7    -0.06   0.01  -0.00    -0.01   0.00  -0.00     0.00   0.01   0.00
    19   6     0.03  -0.01   0.00    -0.00   0.01   0.00    -0.01  -0.01  -0.00
    20   6    -0.01   0.03   0.00    -0.01  -0.01  -0.00     0.02  -0.00  -0.00
    21   6     0.04  -0.05  -0.00     0.01  -0.00  -0.00    -0.03   0.03   0.01
    22   6     0.01   0.04   0.00     0.01   0.00   0.00    -0.02  -0.02  -0.00
    23   7     0.04  -0.03  -0.00    -0.01  -0.01   0.01     0.02  -0.04   0.01
    24   7     0.04   0.02   0.00     0.00  -0.01   0.01     0.03   0.02  -0.01
    25   7    -0.04  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.01
    26   6    -0.07  -0.02  -0.00    -0.04  -0.01  -0.01     0.03  -0.00   0.01
    27   6     0.03  -0.02   0.03     0.02  -0.02   0.03    -0.02   0.02  -0.03
    28   6     0.02  -0.03   0.04    -0.01  -0.03   0.03     0.02   0.03  -0.02
    29   6     0.01   0.03  -0.03     0.04   0.02  -0.01    -0.06  -0.01  -0.01
    30   6    -0.04   0.05  -0.02     0.06  -0.04  -0.01     0.03  -0.01  -0.02
    31   6     0.03  -0.01  -0.01    -0.05  -0.01   0.05    -0.03  -0.01   0.04
    32   6     0.03  -0.01  -0.01    -0.01  -0.05   0.04     0.01  -0.04   0.02
    33   6    -0.04   0.00   0.03    -0.05   0.06  -0.01    -0.06   0.04   0.01
    34   6    -0.01   0.02   0.03     0.03   0.01  -0.00    -0.06  -0.02  -0.00
    35   6    -0.01  -0.03  -0.03    -0.02   0.01   0.02     0.04  -0.01  -0.03
    36   6    -0.01  -0.03  -0.03     0.00   0.02   0.02    -0.01  -0.03  -0.04
    37   6     0.07   0.02  -0.00    -0.03  -0.01  -0.01     0.05   0.02   0.01
    38   6    -0.05   0.01  -0.03    -0.04   0.03  -0.04     0.03  -0.04   0.05
    39   6     0.03   0.04  -0.03     0.03   0.02  -0.01    -0.03  -0.00  -0.01
    40   6     0.05  -0.02   0.04     0.02  -0.02   0.03     0.00   0.02  -0.02
    41   6    -0.05   0.01  -0.02    -0.04   0.02  -0.04     0.04  -0.03   0.04
    42   6     0.03   0.06  -0.04     0.02   0.04  -0.03    -0.02  -0.04   0.03
    43   6    -0.00  -0.03   0.03     0.00  -0.03   0.03     0.00   0.03  -0.03
    44   6    -0.03  -0.01   0.00    -0.04  -0.00  -0.01     0.04  -0.01   0.02
    45   6     0.01   0.06  -0.06     0.02   0.04  -0.04    -0.02  -0.04   0.03
    46   6    -0.01   0.02  -0.01     0.07   0.02  -0.07     0.05   0.02  -0.05
    47   6    -0.01  -0.04   0.04    -0.03   0.04  -0.01    -0.03   0.02   0.01
    48   6     0.03  -0.01  -0.02    -0.04  -0.02   0.05    -0.00  -0.03   0.02
    49   6    -0.00   0.02  -0.01     0.08   0.01  -0.07     0.05   0.01  -0.05
    50   6    -0.01  -0.03   0.03    -0.01   0.08  -0.06    -0.00   0.05  -0.04
    51   6     0.01  -0.00  -0.01    -0.02  -0.04   0.05    -0.01  -0.03   0.04
    52   6     0.01   0.02  -0.03     0.05  -0.03  -0.01     0.04  -0.01  -0.02
    53   6    -0.02  -0.03   0.04     0.00   0.07  -0.06    -0.00   0.05  -0.04
    54   6    -0.04   0.03   0.05     0.03  -0.01  -0.03    -0.05   0.03   0.05
    55   6     0.02  -0.00  -0.01    -0.02  -0.01  -0.01     0.04   0.02   0.01
    56   6     0.01  -0.02  -0.02    -0.01   0.01   0.02     0.02  -0.03  -0.04
    57   6    -0.05   0.02   0.04     0.03  -0.01  -0.03    -0.05   0.02   0.05
    58   6     0.03   0.02   0.01    -0.01  -0.03  -0.03     0.02   0.05   0.06
    59   6    -0.03  -0.04  -0.04    -0.00   0.02   0.02     0.01  -0.02  -0.03
    60   6    -0.04   0.02   0.04     0.02   0.00  -0.01    -0.04  -0.01   0.00
    61   6     0.03   0.03   0.02    -0.01  -0.03  -0.03     0.01   0.05   0.06
    62   1     0.01  -0.08  -0.00     0.01  -0.06  -0.01    -0.04   0.01  -0.00
    63   1     0.02  -0.04  -0.00    -0.01  -0.01  -0.00    -0.03   0.08   0.00
    64   1     0.04  -0.03  -0.00    -0.05   0.00  -0.01    -0.10   0.02  -0.01
    65   1    -0.05   0.01  -0.00    -0.03  -0.04  -0.01    -0.00   0.02   0.01
    66   1    -0.03   0.03  -0.00     0.03  -0.01  -0.01    -0.04   0.01   0.01
    67   1    -0.02  -0.03  -0.00    -0.00  -0.02  -0.00    -0.04  -0.05  -0.00
    68   1     0.35  -0.14  -0.00    -0.02   0.02   0.00    -0.00  -0.03  -0.00
    69   1    -0.16   0.02  -0.00     0.02   0.00   0.00     0.00  -0.01  -0.00
    70   1    -0.05  -0.01   0.00     0.03   0.03  -0.00    -0.03  -0.06   0.00
    71   1    -0.00   0.05   0.01    -0.01   0.00  -0.00     0.05  -0.03   0.01
    72   1     0.05  -0.12   0.13     0.08  -0.12   0.13    -0.10   0.12  -0.15
    73   1    -0.15  -0.20   0.14    -0.07  -0.12   0.10     0.03   0.09  -0.08
    74   1    -0.15  -0.06   0.01    -0.00  -0.03   0.03    -0.07   0.02  -0.04
    75   1     0.01  -0.08   0.08     0.07  -0.11   0.13    -0.10   0.13  -0.17
    76   1     0.01  -0.18   0.18     0.00  -0.13   0.13    -0.01   0.11  -0.11
    77   1     0.01  -0.03   0.03     0.02  -0.02   0.03    -0.05   0.01  -0.03
    78   1     0.13  -0.07   0.11     0.13  -0.06   0.10    -0.16   0.06  -0.11
    79   1    -0.00  -0.19   0.17     0.00  -0.14   0.13    -0.01   0.13  -0.12
    80   1    -0.03   0.02   0.01    -0.19  -0.12   0.24    -0.15  -0.07   0.17
    81   1    -0.05   0.13  -0.07     0.03  -0.23   0.17    -0.01  -0.10   0.09
    82   1    -0.12   0.09   0.02    -0.02  -0.04   0.05    -0.08   0.02   0.05
    83   1    -0.06  -0.00   0.05    -0.17  -0.11   0.23    -0.16  -0.08   0.20
    84   1     0.03   0.12  -0.13    -0.08  -0.19   0.23    -0.05  -0.11   0.13
    85   1    -0.06   0.08  -0.02    -0.04  -0.02   0.05    -0.05   0.01   0.03
    86   1    -0.01   0.03  -0.01    -0.23   0.00   0.17    -0.18   0.01   0.13
    87   1     0.02   0.11  -0.10    -0.09  -0.20   0.23    -0.06  -0.12   0.15
    88   1     0.11  -0.11  -0.16    -0.06   0.07   0.10     0.10  -0.12  -0.18
    89   1    -0.03  -0.08  -0.09     0.05   0.08   0.08    -0.08  -0.14  -0.14
    90   1     0.03  -0.01  -0.03     0.00   0.02   0.02     0.01  -0.03  -0.04
    91   1     0.10  -0.11  -0.18    -0.05   0.06   0.10     0.10  -0.11  -0.18
    92   1     0.03  -0.02  -0.04    -0.01   0.08   0.10     0.00  -0.16  -0.20
    93   1     0.15   0.05   0.00    -0.02   0.01   0.02    -0.02  -0.04  -0.05
    94   1     0.20  -0.04  -0.12    -0.09   0.03   0.07     0.14  -0.06  -0.12
    95   1     0.03  -0.06  -0.09    -0.00   0.08   0.10     0.00  -0.16  -0.19
    96  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                    220                    221                    222
                      A                      A                      A
 Frequencies --   1502.6520              1518.8596              1519.3135
 Red. masses --      2.7796                 2.8964                 2.9122
 Frc consts  --      3.6979                 3.9368                 3.9606
 IR Inten    --     17.4658                55.0740                 5.8377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.02  -0.00     0.02  -0.03   0.01
     2   6    -0.00   0.01   0.00    -0.00   0.02   0.00     0.01   0.01  -0.00
     3   6    -0.01  -0.03  -0.00    -0.02  -0.00  -0.00    -0.03   0.00  -0.00
     4   6    -0.05   0.01  -0.00     0.01   0.00   0.00     0.03  -0.03  -0.00
     5   6     0.01   0.02   0.00    -0.01   0.01   0.00    -0.01   0.04   0.00
     6   6    -0.01  -0.01  -0.00     0.00  -0.01   0.00    -0.02  -0.01  -0.00
     7   6     0.07   0.02   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     8   6    -0.02  -0.01  -0.00     0.00   0.02   0.00     0.03  -0.01  -0.00
     9   6    -0.05   0.06   0.00    -0.03   0.01  -0.00     0.01  -0.01  -0.00
    10   6     0.13  -0.03   0.00     0.02   0.00   0.00    -0.01   0.01   0.00
    11   6    -0.02   0.05   0.00     0.01   0.02   0.00    -0.01  -0.03  -0.00
    12   6    -0.01  -0.10   0.00    -0.01  -0.00  -0.00     0.02   0.03  -0.00
    13   6     0.01   0.02  -0.00    -0.01  -0.00   0.00     0.01   0.01   0.00
    14   6    -0.00   0.01   0.00     0.01   0.00   0.00    -0.03  -0.02  -0.00
    15   7     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.00   0.00
    16   6     0.02  -0.01  -0.00     0.04  -0.02  -0.00    -0.01  -0.00  -0.00
    17   6    -0.07  -0.04  -0.00    -0.02  -0.00   0.00     0.01   0.00   0.00
    18   7    -0.06  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   6     0.03  -0.00   0.00    -0.04   0.03   0.00     0.02  -0.01   0.00
    20   6    -0.03   0.03   0.00    -0.02  -0.04  -0.00     0.00   0.01   0.00
    21   6     0.06  -0.07  -0.01     0.03   0.02  -0.00    -0.02  -0.01  -0.00
    22   6     0.02   0.05   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    23   7     0.01  -0.02   0.00    -0.02  -0.01   0.02     0.02   0.05  -0.05
    24   7     0.02   0.02  -0.01     0.01  -0.03   0.03    -0.00  -0.03   0.02
    25   7    -0.03   0.00   0.01    -0.03   0.03   0.04     0.01   0.01   0.01
    26   6     0.04   0.01   0.00     0.00   0.06  -0.05    -0.00   0.05  -0.05
    27   6    -0.04   0.02  -0.03    -0.07  -0.04   0.01    -0.05  -0.04   0.02
    28   6     0.03   0.03  -0.02     0.07   0.01   0.01     0.06   0.01   0.00
    29   6    -0.06  -0.01  -0.01    -0.03   0.04  -0.05    -0.03   0.03  -0.04
    30   6    -0.00   0.01  -0.01     0.01   0.03  -0.04    -0.03  -0.08   0.09
    31   6    -0.00  -0.01   0.01     0.03  -0.04   0.00    -0.06   0.09  -0.03
    32   6     0.01  -0.01   0.00    -0.04   0.02   0.01     0.08  -0.06  -0.01
    33   6    -0.02   0.01   0.01     0.03   0.02  -0.04    -0.06  -0.03   0.07
    34   6     0.06   0.03   0.02    -0.01  -0.05  -0.06     0.00  -0.01  -0.01
    35   6    -0.05   0.00   0.02     0.08   0.03   0.01     0.01   0.01   0.01
    36   6     0.02   0.03   0.03    -0.09  -0.01   0.02    -0.01  -0.01  -0.00
    37   6    -0.04  -0.02  -0.01     0.04  -0.05  -0.07     0.01  -0.00  -0.01
    38   6     0.03  -0.04   0.05    -0.02  -0.04   0.03    -0.02  -0.03   0.02
    39   6    -0.04  -0.00  -0.01    -0.01   0.05  -0.05    -0.00   0.03  -0.03
    40   6     0.02   0.03  -0.02     0.07   0.00   0.02     0.05   0.00   0.01
    41   6     0.04  -0.04   0.05    -0.02  -0.04   0.03    -0.01  -0.03   0.03
    42   6    -0.01  -0.06   0.05     0.04  -0.02   0.03     0.03  -0.01   0.02
    43   6    -0.02   0.02  -0.03    -0.06  -0.04   0.02    -0.05  -0.04   0.02
    44   6     0.04   0.01   0.01    -0.02   0.04  -0.05    -0.03   0.04  -0.04
    45   6    -0.01  -0.05   0.04     0.04  -0.02   0.03     0.04  -0.01   0.02
    46   6     0.01   0.01  -0.02     0.01  -0.03   0.02    -0.01   0.05  -0.04
    47   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.03  -0.04   0.06
    48   6     0.01  -0.01  -0.00    -0.04   0.02   0.02     0.07  -0.04  -0.02
    49   6     0.01   0.01  -0.02     0.00  -0.03   0.02     0.00   0.05  -0.05
    50   6    -0.00   0.00  -0.00    -0.03  -0.00   0.02     0.06  -0.01  -0.04
    51   6     0.00  -0.01   0.01     0.03  -0.04   0.01    -0.06   0.10  -0.04
    52   6     0.02   0.00  -0.01     0.02   0.02  -0.03    -0.06  -0.04   0.09
    53   6    -0.01   0.00   0.00    -0.03  -0.00   0.02     0.07  -0.01  -0.04
    54   6     0.04  -0.02  -0.04     0.03   0.04   0.04     0.00   0.01   0.01
    55   6    -0.04  -0.02  -0.01     0.01  -0.05  -0.07     0.00  -0.00  -0.00
    56   6    -0.00   0.03   0.03    -0.09  -0.01   0.03    -0.01  -0.00  -0.00
    57   6     0.04  -0.03  -0.05     0.03   0.04   0.04    -0.00   0.01   0.01
    58   6    -0.01  -0.05  -0.06    -0.04   0.02   0.04    -0.01   0.00   0.00
    59   6    -0.03   0.01   0.02     0.06   0.04   0.02     0.01   0.01   0.01
    60   6     0.03   0.02   0.01     0.02  -0.04  -0.05     0.01  -0.01  -0.01
    61   6     0.00  -0.05  -0.06    -0.04   0.02   0.03    -0.01   0.00   0.01
    62   1     0.02  -0.07  -0.00     0.02  -0.06  -0.01     0.03  -0.05   0.00
    63   1     0.02  -0.01   0.00     0.01  -0.04  -0.00     0.04  -0.12  -0.00
    64   1     0.03  -0.02  -0.00     0.02  -0.01  -0.00     0.10  -0.03   0.01
    65   1    -0.05   0.03   0.01    -0.05  -0.06  -0.01     0.06   0.05   0.00
    66   1    -0.13   0.05   0.01     0.01  -0.01  -0.00     0.05   0.00  -0.00
    67   1    -0.09  -0.08  -0.01    -0.01  -0.02  -0.00     0.11   0.13   0.01
    68   1     0.33  -0.13   0.00    -0.05   0.03   0.00     0.02  -0.00  -0.00
    69   1    -0.14   0.03  -0.00     0.14   0.01   0.00    -0.06   0.01  -0.00
    70   1    -0.01   0.05  -0.00     0.11   0.12   0.00    -0.04  -0.04  -0.00
    71   1    -0.05   0.07  -0.00     0.02   0.00  -0.00    -0.04   0.00  -0.00
    72   1    -0.11   0.13  -0.16    -0.09   0.03  -0.05    -0.07   0.03  -0.05
    73   1     0.02   0.09  -0.08    -0.13  -0.11   0.07    -0.09  -0.08   0.05
    74   1    -0.12   0.01  -0.05    -0.26  -0.05  -0.03    -0.19  -0.03  -0.03
    75   1    -0.13   0.14  -0.19    -0.10   0.04  -0.07    -0.08   0.03  -0.06
    76   1     0.01   0.17  -0.17     0.06   0.10  -0.08     0.05   0.07  -0.05
    77   1     0.03   0.06  -0.04     0.25   0.12  -0.03     0.22   0.10  -0.02
    78   1    -0.12   0.07  -0.10     0.18  -0.01   0.07     0.17  -0.02   0.07
    79   1     0.00   0.17  -0.16     0.06   0.08  -0.06     0.05   0.05  -0.03
    80   1    -0.04  -0.01   0.04     0.06  -0.01  -0.04    -0.13   0.01   0.09
    81   1    -0.02   0.02  -0.00     0.05  -0.11   0.05    -0.10   0.18  -0.08
    82   1    -0.06   0.03   0.02     0.15  -0.11  -0.03    -0.27   0.19   0.05
    83   1    -0.05  -0.02   0.06     0.07  -0.01  -0.05    -0.14   0.00   0.11
    84   1    -0.01   0.00  -0.00    -0.01   0.07  -0.06     0.04  -0.15   0.10
    85   1    -0.03   0.03   0.00    -0.11   0.13  -0.02     0.29  -0.32   0.04
    86   1    -0.05   0.01   0.03    -0.10   0.04   0.04     0.28  -0.10  -0.14
    87   1    -0.01  -0.00   0.01    -0.01   0.06  -0.04     0.05  -0.12   0.06
    88   1    -0.10   0.11   0.16     0.10  -0.01  -0.06     0.02  -0.01  -0.02
    89   1     0.07   0.12   0.12     0.17   0.14   0.11     0.01   0.01   0.00
    90   1    -0.04   0.02   0.05     0.33   0.08  -0.03     0.03   0.00  -0.01
    91   1    -0.10   0.10   0.17     0.12  -0.03  -0.08     0.02  -0.01  -0.02
    92   1     0.02   0.18   0.22    -0.06  -0.10  -0.11    -0.01  -0.01  -0.01
    93   1     0.10   0.08   0.06    -0.25  -0.12  -0.05    -0.06  -0.03  -0.01
    94   1    -0.06   0.05   0.08    -0.17  -0.00   0.06    -0.05   0.00   0.02
    95   1     0.02   0.16   0.19    -0.06  -0.09  -0.09    -0.01  -0.01  -0.01
    96  17    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                    223                    224                    225
                      A                      A                      A
 Frequencies --   1520.2264              1525.0974              1531.0839
 Red. masses --      3.0365                 2.8041                 3.1514
 Frc consts  --      4.1347                 3.8427                 4.3526
 IR Inten    --     47.4288                51.5007                13.3196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00    -0.02  -0.02   0.00     0.03   0.01  -0.00
     2   6     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.03   0.00
     3   6    -0.01   0.01   0.00     0.01   0.05   0.00    -0.03  -0.03  -0.00
     4   6    -0.02  -0.01  -0.00    -0.02  -0.02  -0.00     0.04  -0.02  -0.00
     5   6     0.01   0.01   0.00     0.03  -0.03  -0.00    -0.01   0.05   0.00
     6   6    -0.02   0.00  -0.00    -0.02   0.03   0.00    -0.03  -0.02  -0.00
     7   6     0.04  -0.00  -0.00     0.02  -0.07  -0.00     0.02   0.01   0.00
     8   6    -0.01  -0.01  -0.00    -0.03   0.04   0.00    -0.01  -0.01  -0.00
     9   6    -0.04   0.03   0.00    -0.06   0.01  -0.00     0.01   0.01   0.00
    10   6     0.06  -0.00   0.00    -0.02  -0.00  -0.00    -0.01  -0.00  -0.00
    11   6    -0.01   0.02   0.00     0.03   0.05   0.00    -0.00   0.01   0.00
    12   6    -0.01  -0.05   0.00    -0.03  -0.01  -0.00    -0.00  -0.01   0.00
    13   6     0.02  -0.00  -0.00    -0.03  -0.02  -0.00     0.02  -0.00   0.00
    14   6     0.01   0.02   0.00     0.06   0.04   0.00    -0.00   0.01   0.00
    15   7     0.01  -0.01  -0.00     0.02  -0.04  -0.00    -0.00   0.00  -0.00
    16   6     0.04  -0.01  -0.00     0.12   0.00   0.00     0.01  -0.00  -0.00
    17   6    -0.04  -0.01  -0.00    -0.02  -0.00  -0.00     0.02  -0.01  -0.00
    18   7    -0.02  -0.00  -0.00     0.04   0.01   0.00    -0.01   0.01   0.00
    19   6    -0.02   0.02   0.00    -0.14   0.06   0.00    -0.01   0.00  -0.00
    20   6    -0.02  -0.02  -0.00    -0.02  -0.11  -0.00     0.00  -0.01  -0.00
    21   6     0.04  -0.01  -0.01     0.10   0.10   0.01    -0.00   0.02   0.00
    22   6     0.01   0.02   0.00    -0.07  -0.00  -0.00    -0.01  -0.01  -0.00
    23   7     0.01   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.04   0.01
    24   7    -0.00   0.04  -0.04     0.01  -0.00   0.01    -0.03  -0.00  -0.00
    25   7    -0.03   0.03   0.04    -0.03  -0.04  -0.02    -0.00  -0.01  -0.00
    26   6     0.00  -0.06   0.06     0.01   0.01  -0.00     0.06  -0.01   0.03
    27   6     0.07   0.05  -0.02    -0.01   0.01  -0.01    -0.01   0.06  -0.06
    28   6    -0.08  -0.01  -0.01     0.02  -0.01   0.02     0.01  -0.06   0.06
    29   6     0.04  -0.05   0.06    -0.00   0.01  -0.01     0.04   0.04  -0.02
    30   6    -0.01  -0.03   0.03    -0.01  -0.01   0.02    -0.08   0.03   0.03
    31   6    -0.02   0.03  -0.01    -0.01   0.02  -0.00     0.06   0.06  -0.10
    32   6     0.04  -0.02  -0.01     0.02  -0.01  -0.01    -0.07  -0.06   0.10
    33   6    -0.03  -0.01   0.03    -0.01  -0.01   0.02    -0.03   0.08  -0.05
    34   6    -0.00  -0.05  -0.06    -0.03   0.03   0.05     0.01   0.00   0.00
    35   6     0.08   0.03   0.01    -0.01  -0.06  -0.07    -0.01   0.01   0.01
    36   6    -0.09  -0.00   0.03     0.02   0.05   0.05     0.01  -0.01  -0.01
    37   6     0.04  -0.05  -0.07    -0.03  -0.01   0.00     0.00   0.01   0.01
    38   6     0.03   0.04  -0.03    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    39   6     0.00  -0.05   0.05     0.00   0.02  -0.02     0.02   0.05  -0.04
    40   6    -0.07  -0.00  -0.02     0.02  -0.00   0.01     0.05  -0.02   0.04
    41   6     0.02   0.04  -0.03    -0.01  -0.00  -0.00    -0.05   0.01  -0.02
    42   6    -0.04   0.01  -0.03    -0.00  -0.01   0.01    -0.04  -0.04   0.02
    43   6     0.07   0.05  -0.03    -0.00   0.00  -0.00     0.04   0.05  -0.04
    44   6     0.03  -0.05   0.06     0.00   0.00   0.00     0.05  -0.03   0.05
    45   6    -0.05   0.01  -0.03     0.00  -0.01   0.01    -0.04  -0.02   0.00
    46   6    -0.01   0.03  -0.02    -0.01   0.01  -0.01     0.05  -0.04  -0.01
    47   6    -0.01  -0.03   0.03    -0.00  -0.02   0.02     0.00   0.09  -0.08
    48   6     0.04  -0.02  -0.01     0.02  -0.01  -0.01    -0.10   0.01   0.07
    49   6    -0.00   0.02  -0.02    -0.01   0.01  -0.01     0.08  -0.03  -0.04
    50   6     0.02  -0.00  -0.02     0.01  -0.00  -0.01     0.03  -0.07   0.04
    51   6    -0.02   0.03  -0.01    -0.01   0.02  -0.01    -0.01   0.08  -0.06
    52   6    -0.02  -0.01   0.03    -0.01  -0.01   0.02    -0.07  -0.01   0.06
    53   6     0.02  -0.00  -0.01     0.01  -0.00  -0.01     0.03  -0.04   0.01
    54   6     0.03   0.04   0.03     0.01  -0.01  -0.02    -0.01  -0.00  -0.00
    55   6     0.00  -0.06  -0.07    -0.01  -0.01  -0.01     0.00   0.01   0.01
    56   6    -0.09  -0.00   0.03    -0.01   0.01   0.02     0.01  -0.00  -0.01
    57   6     0.03   0.04   0.03     0.03  -0.01  -0.03    -0.01  -0.00   0.00
    58   6    -0.04   0.02   0.04     0.05   0.02   0.01    -0.00  -0.00  -0.00
    59   6     0.05   0.03   0.02    -0.05  -0.06  -0.05     0.00   0.00   0.00
    60   6     0.02  -0.03  -0.05    -0.05   0.04   0.06     0.00  -0.00  -0.00
    61   6    -0.04   0.01   0.03     0.05   0.01  -0.00    -0.00  -0.00  -0.00
    62   1     0.01   0.00   0.00    -0.03   0.13   0.01     0.04  -0.14  -0.01
    63   1     0.02  -0.01   0.00    -0.00   0.07   0.00     0.05  -0.14  -0.01
    64   1     0.07  -0.01   0.00     0.05   0.02   0.00     0.08  -0.04  -0.00
    65   1    -0.04  -0.00   0.00    -0.16  -0.17  -0.01    -0.00   0.01  -0.00
    66   1    -0.11   0.02   0.01    -0.04  -0.03  -0.00    -0.06   0.01   0.00
    67   1    -0.09  -0.07  -0.00    -0.14  -0.19  -0.01    -0.04  -0.03  -0.00
    68   1     0.07  -0.03   0.00    -0.22   0.06  -0.00     0.03  -0.04  -0.00
    69   1     0.07   0.01   0.00     0.48  -0.03   0.01     0.03  -0.00   0.00
    70   1     0.08   0.11   0.00     0.29   0.25   0.01     0.01   0.00   0.00
    71   1     0.00   0.03  -0.00     0.22  -0.04   0.00     0.02  -0.01   0.00
    72   1     0.09  -0.03   0.06    -0.01  -0.01   0.01     0.02  -0.08   0.08
    73   1     0.14   0.12  -0.08    -0.05  -0.05   0.03    -0.12  -0.14   0.10
    74   1     0.27   0.05   0.03    -0.07  -0.02  -0.00    -0.14  -0.05   0.01
    75   1     0.10  -0.04   0.07    -0.01  -0.01   0.01     0.02  -0.08   0.09
    76   1    -0.07  -0.09   0.06     0.00   0.02  -0.02    -0.04   0.08  -0.09
    77   1    -0.28  -0.13   0.03     0.00   0.01  -0.01    -0.18  -0.05  -0.01
    78   1    -0.22   0.02  -0.09    -0.01   0.01  -0.01    -0.22   0.05  -0.12
    79   1    -0.06  -0.07   0.04     0.00   0.02  -0.02    -0.04   0.07  -0.07
    80   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.05  -0.10   0.12
    81   1    -0.05   0.09  -0.04    -0.03   0.06  -0.03     0.11  -0.32   0.18
    82   1    -0.12   0.09   0.02    -0.07   0.05   0.01     0.21  -0.20   0.01
    83   1    -0.06   0.01   0.04    -0.02   0.01   0.01    -0.06  -0.11   0.14
    84   1     0.01  -0.05   0.04     0.01  -0.02   0.01     0.09   0.09  -0.15
    85   1     0.10  -0.11   0.01     0.05  -0.05   0.01     0.18  -0.14  -0.02
    86   1     0.09  -0.03  -0.04     0.05  -0.02  -0.03     0.27  -0.05  -0.16
    87   1     0.02  -0.04   0.03     0.01  -0.02   0.01     0.08   0.08  -0.13
    88   1     0.10  -0.00  -0.04    -0.05   0.05   0.08    -0.00  -0.01  -0.01
    89   1     0.18   0.16   0.13     0.03   0.04   0.04    -0.03  -0.04  -0.03
    90   1     0.33   0.08  -0.02     0.01   0.02   0.02    -0.04  -0.01  -0.00
    91   1     0.11  -0.01  -0.06    -0.04   0.05   0.08     0.00  -0.01  -0.02
    92   1    -0.06  -0.09  -0.09     0.05  -0.02  -0.04    -0.00   0.01   0.01
    93   1    -0.23  -0.11  -0.05     0.24   0.09   0.01    -0.01  -0.00   0.00
    94   1    -0.16   0.00   0.06     0.25  -0.03  -0.13    -0.01   0.00   0.01
    95   1    -0.05  -0.08  -0.08     0.05  -0.03  -0.05    -0.00   0.01   0.01
    96  17    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                    226                    227                    228
                      A                      A                      A
 Frequencies --   1532.5117              1534.1638              1540.4455
 Red. masses --      3.2484                 3.3172                 3.3717
 Frc consts  --      4.4950                 4.6000                 4.7140
 IR Inten    --     97.4828                72.6322               250.2061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.00    -0.00   0.01   0.00     0.12  -0.05  -0.00
     2   6     0.02  -0.01  -0.00    -0.00  -0.01  -0.00    -0.03   0.09   0.01
     3   6     0.00   0.04   0.00     0.01  -0.01   0.00    -0.10  -0.09  -0.01
     4   6    -0.01  -0.00  -0.00     0.00   0.01   0.00     0.12  -0.04  -0.00
     5   6     0.01  -0.02  -0.00    -0.01  -0.01  -0.00    -0.06   0.15   0.01
     6   6     0.01   0.02   0.00     0.02  -0.00   0.00    -0.04  -0.06  -0.01
     7   6    -0.02  -0.04  -0.00    -0.03   0.02   0.00     0.02   0.11   0.01
     8   6    -0.00   0.02   0.00     0.01  -0.00  -0.00     0.04  -0.08  -0.00
     9   6    -0.01  -0.03  -0.00     0.04  -0.02  -0.00    -0.01   0.08   0.00
    10   6     0.00   0.02   0.00    -0.03  -0.00  -0.00     0.00  -0.02  -0.00
    11   6     0.02   0.01   0.00    -0.00  -0.03  -0.00    -0.04  -0.03  -0.00
    12   6     0.01   0.03   0.00     0.03   0.04   0.00     0.01  -0.02  -0.00
    13   6    -0.01  -0.02  -0.00     0.00   0.00   0.00     0.07   0.03   0.00
    14   6     0.02   0.02   0.00    -0.02  -0.02  -0.00    -0.09  -0.03  -0.00
    15   7     0.01   0.00   0.00    -0.02   0.03   0.00    -0.02  -0.02  -0.00
    16   6    -0.00  -0.00  -0.00    -0.07   0.01  -0.00     0.06  -0.03  -0.00
    17   6    -0.02   0.01  -0.00     0.01   0.00   0.00     0.08  -0.01   0.00
    18   7     0.01  -0.01  -0.00     0.02  -0.00   0.00    -0.07   0.03   0.00
    19   6    -0.00  -0.00  -0.00     0.08  -0.04  -0.00    -0.04   0.05   0.00
    20   6     0.00   0.01   0.00     0.02   0.07   0.00    -0.03  -0.08  -0.00
    21   6     0.02  -0.01  -0.00    -0.08  -0.07  -0.01    -0.01   0.10   0.01
    22   6     0.00   0.01   0.00     0.03   0.00   0.00    -0.02  -0.04  -0.00
    23   7    -0.02   0.03  -0.01    -0.01   0.00   0.00    -0.07   0.04   0.01
    24   7    -0.06  -0.03   0.01    -0.04  -0.02   0.00    -0.02   0.01  -0.01
    25   7    -0.03  -0.01   0.00     0.10   0.04   0.01     0.01  -0.01  -0.01
    26   6     0.08  -0.00   0.03     0.04  -0.00   0.01     0.01  -0.01   0.01
    27   6    -0.03   0.08  -0.08    -0.02   0.04  -0.04     0.00   0.01  -0.01
    28   6     0.04  -0.08   0.09     0.02  -0.04   0.04    -0.01  -0.01   0.01
    29   6     0.06   0.06  -0.04     0.03   0.03  -0.02     0.01  -0.00   0.01
    30   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01     0.04  -0.01  -0.02
    31   6    -0.04  -0.03   0.06    -0.01  -0.01   0.02    -0.01  -0.03   0.04
    32   6     0.04   0.04  -0.06     0.01   0.01  -0.01     0.01   0.03  -0.03
    33   6     0.02  -0.05   0.03     0.01  -0.01   0.00     0.03  -0.03  -0.00
    34   6     0.04  -0.01  -0.02    -0.09  -0.00   0.03    -0.02   0.00   0.01
    35   6    -0.01   0.04   0.05     0.03  -0.07  -0.10    -0.01  -0.02  -0.02
    36   6     0.01  -0.04  -0.05    -0.04   0.08   0.10     0.01   0.01   0.01
    37   6     0.03   0.03   0.02    -0.07  -0.06  -0.05    -0.02   0.00   0.01
    38   6    -0.05  -0.01  -0.01    -0.03  -0.01  -0.00    -0.00   0.01  -0.01
    39   6     0.03   0.08  -0.07     0.02   0.04  -0.03    -0.00  -0.00   0.00
    40   6     0.08  -0.03   0.06     0.04  -0.02   0.03    -0.00   0.00  -0.00
    41   6    -0.08   0.01  -0.04    -0.04   0.00  -0.02    -0.00   0.00  -0.00
    42   6    -0.05  -0.05   0.03    -0.03  -0.03   0.02    -0.01  -0.01   0.00
    43   6     0.04   0.07  -0.05     0.02   0.03  -0.02     0.01   0.01  -0.01
    44   6     0.06  -0.04   0.06     0.03  -0.02   0.03     0.01  -0.01   0.01
    45   6    -0.04  -0.02   0.01    -0.02  -0.01   0.00    -0.01  -0.00  -0.00
    46   6    -0.03   0.02   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    47   6    -0.00  -0.06   0.05     0.00  -0.01   0.01     0.00  -0.02   0.01
    48   6     0.06  -0.00  -0.04     0.01  -0.00  -0.01     0.02  -0.00  -0.02
    49   6    -0.05   0.02   0.02    -0.01   0.00   0.01    -0.03   0.01   0.02
    50   6    -0.02   0.04  -0.02    -0.01   0.01  -0.01    -0.02   0.04  -0.02
    51   6     0.01  -0.04   0.03     0.00  -0.01   0.01     0.01  -0.04   0.03
    52   6     0.04   0.00  -0.03     0.01   0.00  -0.01     0.04   0.01  -0.04
    53   6    -0.01   0.02  -0.01    -0.00   0.01  -0.00    -0.02   0.02   0.00
    54   6    -0.02  -0.00   0.01     0.06   0.02  -0.00    -0.00  -0.01  -0.01
    55   6     0.01   0.03   0.03    -0.03  -0.08  -0.09     0.00   0.01   0.01
    56   6     0.04  -0.01  -0.03    -0.09   0.03   0.07     0.00  -0.00  -0.00
    57   6    -0.04   0.00   0.02     0.09  -0.00  -0.04     0.00  -0.00  -0.00
    58   6    -0.03  -0.03  -0.02     0.06   0.05   0.04     0.01   0.01   0.01
    59   6     0.03   0.04   0.03    -0.04  -0.06  -0.06    -0.01  -0.01  -0.01
    60   6     0.04  -0.02  -0.04    -0.07   0.03   0.06    -0.02   0.01   0.02
    61   6    -0.03  -0.01  -0.00     0.04   0.02   0.01     0.01   0.01   0.00
    62   1    -0.01   0.08   0.00    -0.01   0.02   0.00     0.14  -0.43  -0.02
    63   1    -0.02   0.06   0.00    -0.02   0.01  -0.00     0.12  -0.42  -0.02
    64   1    -0.01   0.02   0.00    -0.06   0.01  -0.00     0.19  -0.13  -0.01
    65   1    -0.05  -0.08  -0.01     0.07   0.05   0.00     0.16   0.20   0.01
    66   1    -0.00  -0.02  -0.00     0.05  -0.01  -0.00    -0.08   0.07   0.01
    67   1    -0.08  -0.09  -0.01     0.05   0.06   0.00     0.16   0.25   0.02
    68   1    -0.02   0.02   0.00     0.08  -0.03  -0.00    -0.00  -0.08  -0.01
    69   1    -0.01  -0.00  -0.00    -0.25   0.01  -0.00     0.16   0.03   0.00
    70   1    -0.00   0.00   0.00    -0.17  -0.15  -0.01     0.13   0.11   0.01
    71   1    -0.01   0.01  -0.00    -0.11   0.02   0.00     0.08  -0.06   0.00
    72   1     0.01  -0.11   0.11     0.01  -0.05   0.05     0.02  -0.01   0.02
    73   1    -0.21  -0.24   0.16    -0.10  -0.11   0.08     0.01   0.01  -0.00
    74   1    -0.25  -0.09   0.01    -0.11  -0.04   0.01     0.01   0.00   0.00
    75   1     0.03  -0.13   0.14     0.02  -0.07   0.07     0.01  -0.01   0.01
    76   1    -0.04   0.12  -0.14    -0.02   0.06  -0.07    -0.01   0.02  -0.02
    77   1    -0.20  -0.06  -0.02    -0.09  -0.03  -0.01    -0.04  -0.01  -0.00
    78   1    -0.25   0.06  -0.14    -0.12   0.03  -0.06    -0.05   0.01  -0.03
    79   1    -0.04   0.11  -0.11    -0.02   0.05  -0.05    -0.01   0.01  -0.01
    80   1     0.03   0.06  -0.07     0.01   0.01  -0.02     0.03   0.03  -0.04
    81   1    -0.07   0.20  -0.11    -0.01   0.03  -0.02    -0.02   0.07  -0.04
    82   1    -0.13   0.12  -0.00    -0.02   0.02  -0.00    -0.04   0.04  -0.00
    83   1     0.04   0.07  -0.09     0.01   0.01  -0.02     0.04   0.04  -0.06
    84   1    -0.05  -0.06   0.09    -0.01  -0.02   0.03    -0.05  -0.05   0.08
    85   1    -0.09   0.07   0.01    -0.03   0.02   0.00    -0.09   0.07   0.01
    86   1    -0.14   0.03   0.09    -0.04   0.01   0.03    -0.14   0.03   0.09
    87   1    -0.04  -0.05   0.08    -0.01  -0.01   0.02    -0.04  -0.02   0.04
    88   1     0.02  -0.05  -0.06    -0.02   0.11   0.13    -0.02   0.01   0.02
    89   1    -0.09  -0.10  -0.09     0.22   0.24   0.21    -0.02  -0.02  -0.02
    90   1    -0.10  -0.04  -0.01     0.25   0.10   0.03    -0.02  -0.01  -0.00
    91   1     0.02  -0.06  -0.08    -0.04   0.13   0.18    -0.01   0.00   0.01
    92   1    -0.03   0.05   0.08     0.05  -0.11  -0.17     0.01  -0.02  -0.04
    93   1    -0.13  -0.04   0.00     0.22   0.07  -0.01     0.05   0.01  -0.00
    94   1    -0.16   0.02   0.09     0.27  -0.04  -0.15     0.07  -0.01  -0.04
    95   1    -0.03   0.04   0.06     0.05  -0.09  -0.13     0.02  -0.01  -0.02
    96  17     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    229                    230                    231
                      A                      A                      A
 Frequencies --   1560.7759              1582.7608              1599.8986
 Red. masses --      3.1523                 6.2985                 5.6967
 Frc consts  --      4.5244                 9.2965                 8.5912
 IR Inten    --    250.4243                89.8837                13.2377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.06   0.00     0.14   0.09   0.00     0.03  -0.05  -0.00
     2   6     0.01  -0.05  -0.00    -0.05  -0.05  -0.00    -0.00   0.04   0.00
     3   6     0.04  -0.02  -0.00     0.07   0.02   0.00    -0.03   0.04   0.00
     4   6    -0.07   0.10   0.00    -0.02  -0.11  -0.01     0.01  -0.06  -0.00
     5   6    -0.01  -0.08  -0.00     0.00   0.11   0.01     0.03   0.00   0.00
     6   6     0.11   0.00   0.00    -0.11  -0.05  -0.00    -0.06   0.02  -0.00
     7   6    -0.06   0.08   0.00     0.04  -0.01  -0.00     0.13  -0.15  -0.01
     8   6     0.14  -0.01   0.00     0.00   0.10   0.01    -0.05   0.24   0.01
     9   6    -0.08   0.04   0.00     0.09  -0.03   0.00    -0.06  -0.11  -0.01
    10   6     0.09  -0.06  -0.00    -0.25  -0.06  -0.01     0.07   0.13   0.01
    11   6    -0.07  -0.10  -0.01    -0.07  -0.01  -0.00    -0.04   0.13   0.01
    12   6     0.14   0.03   0.00     0.14  -0.07  -0.00     0.16  -0.22  -0.00
    13   6    -0.06   0.06   0.01    -0.16   0.08   0.01    -0.20   0.14   0.01
    14   6    -0.08  -0.10  -0.01     0.01  -0.10  -0.01     0.01  -0.16  -0.01
    15   7    -0.02  -0.02  -0.00    -0.14   0.01  -0.00     0.10  -0.01   0.00
    16   6     0.08  -0.03  -0.00     0.14   0.14   0.01    -0.11  -0.09  -0.01
    17   6    -0.02   0.01  -0.00    -0.16  -0.07  -0.01     0.06   0.08   0.00
    18   7    -0.02   0.01   0.00     0.24   0.02   0.00    -0.08  -0.04  -0.00
    19   6    -0.01   0.05   0.00    -0.07  -0.05  -0.00     0.03   0.02   0.00
    20   6    -0.06  -0.07  -0.00     0.05   0.09   0.00     0.00  -0.03  -0.00
    21   6     0.05   0.04   0.00     0.12  -0.13  -0.01    -0.10   0.08   0.01
    22   6    -0.02  -0.00  -0.00    -0.06   0.10   0.01     0.07  -0.07  -0.00
    23   7     0.04  -0.03  -0.00    -0.04   0.00   0.01    -0.01   0.02  -0.00
    24   7    -0.07  -0.01  -0.00    -0.03   0.01  -0.01    -0.04   0.02  -0.01
    25   7    -0.02  -0.01  -0.00    -0.06  -0.00   0.01     0.04   0.00  -0.00
    26   6     0.02   0.00   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.01
    27   6     0.00   0.01  -0.01     0.02  -0.00   0.01     0.03   0.01   0.00
    28   6     0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.03  -0.01   0.00
    29   6     0.02   0.01   0.00    -0.00   0.00   0.00     0.02   0.02  -0.01
    30   6    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00  -0.00
    32   6    -0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    33   6    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    34   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.00  -0.00  -0.00
    35   6     0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01  -0.00  -0.00
    36   6     0.00   0.00   0.00    -0.01  -0.01  -0.01     0.01   0.01   0.00
    37   6     0.00   0.00   0.00     0.02   0.00  -0.00    -0.01  -0.01  -0.00
    38   6    -0.00  -0.00   0.00     0.01  -0.00   0.00     0.01   0.02  -0.01
    39   6     0.00   0.01  -0.00    -0.01  -0.01   0.01    -0.03  -0.04   0.03
    40   6     0.01  -0.00   0.00     0.01   0.01  -0.00     0.02   0.02  -0.01
    41   6    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.02   0.02
    42   6    -0.01  -0.01   0.01     0.00  -0.01   0.01     0.01  -0.02   0.02
    43   6     0.00   0.01  -0.01    -0.01   0.01  -0.01    -0.03   0.00  -0.01
    44   6     0.01  -0.01   0.01     0.02  -0.01   0.02     0.05  -0.02   0.03
    45   6    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.02   0.01  -0.02
    46   6     0.00  -0.00   0.00    -0.00  -0.01   0.01     0.00   0.00  -0.00
    47   6     0.00   0.01  -0.00    -0.00   0.02  -0.02     0.00  -0.01   0.00
    48   6    -0.01   0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    49   6     0.01  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
    50   6     0.00  -0.01   0.01     0.00   0.01  -0.01    -0.00   0.00   0.00
    51   6     0.00   0.01  -0.01    -0.01  -0.00   0.01     0.00  -0.00  -0.00
    52   6    -0.01  -0.00   0.01     0.03  -0.00  -0.02    -0.00   0.00   0.00
    53   6     0.01  -0.00  -0.00    -0.01   0.00   0.01     0.00  -0.00   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.01   0.01    -0.00  -0.01  -0.01
    55   6     0.00   0.00   0.00    -0.01  -0.01  -0.01     0.01   0.01   0.01
    56   6     0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01  -0.01  -0.00
    57   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    58   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    59   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    60   6     0.00  -0.00  -0.00     0.03  -0.01  -0.02    -0.02   0.01   0.01
    61   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.01
    62   1    -0.06   0.15   0.01    -0.05  -0.07  -0.00     0.05  -0.09  -0.00
    63   1    -0.12   0.22   0.01     0.11  -0.22  -0.01     0.04  -0.02   0.00
    64   1    -0.28   0.09   0.00     0.14  -0.11  -0.01     0.14  -0.02   0.00
    65   1     0.25   0.27   0.02     0.12   0.21   0.01    -0.12   0.04   0.00
    66   1     0.28   0.01   0.00     0.36  -0.01   0.00     0.36   0.05   0.01
    67   1     0.40   0.43   0.03     0.26   0.16   0.01     0.37   0.18   0.01
    68   1     0.05   0.03  -0.00     0.19  -0.15  -0.01    -0.22   0.34   0.01
    69   1     0.10   0.04   0.00     0.15  -0.10   0.00    -0.06   0.03   0.00
    70   1     0.13   0.17   0.01    -0.04  -0.02  -0.01    -0.01  -0.05   0.00
    71   1     0.06  -0.01  -0.00     0.12   0.10   0.00    -0.14  -0.05  -0.00
    72   1    -0.00  -0.00   0.00    -0.00   0.02  -0.02     0.03   0.01   0.00
    73   1    -0.01  -0.01   0.01     0.01   0.02  -0.02     0.04   0.06  -0.04
    74   1    -0.02  -0.01   0.00    -0.01   0.00  -0.01    -0.03   0.01  -0.02
    75   1     0.01  -0.02   0.02    -0.01   0.01  -0.02    -0.03   0.01  -0.02
    76   1    -0.01   0.03  -0.03     0.00   0.01  -0.01     0.01   0.05  -0.04
    77   1    -0.03  -0.01  -0.00    -0.01   0.00  -0.01     0.00   0.02  -0.02
    78   1    -0.04   0.01  -0.02    -0.04   0.01  -0.02    -0.08   0.03  -0.05
    79   1    -0.01   0.00  -0.00    -0.01  -0.02   0.02    -0.03  -0.01   0.00
    80   1    -0.00  -0.00   0.00     0.02  -0.01  -0.01    -0.01   0.00   0.00
    81   1     0.01  -0.02   0.01     0.01  -0.04   0.02    -0.00   0.01  -0.01
    82   1     0.01  -0.01   0.00    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    83   1    -0.01  -0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    84   1     0.01   0.02  -0.03    -0.01  -0.03   0.04    -0.00  -0.00   0.00
    85   1     0.02  -0.01  -0.00    -0.01  -0.00   0.01    -0.00   0.01  -0.00
    86   1     0.03  -0.01  -0.02    -0.05   0.01   0.03     0.00   0.00  -0.00
    87   1     0.01  -0.00  -0.01    -0.02   0.00   0.01     0.00   0.00  -0.00
    88   1    -0.01   0.00   0.00     0.02  -0.00  -0.01    -0.01  -0.00   0.00
    89   1    -0.01  -0.01  -0.01     0.02   0.02   0.02    -0.01  -0.02  -0.02
    90   1    -0.01  -0.00  -0.00    -0.01   0.00   0.01     0.01  -0.00  -0.01
    91   1     0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.01  -0.00  -0.00
    92   1    -0.00   0.00   0.00     0.00   0.04   0.05    -0.00  -0.02  -0.03
    93   1    -0.01  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.01  -0.01
    94   1    -0.01  -0.00   0.00    -0.06   0.01   0.04     0.04  -0.01  -0.02
    95   1    -0.00  -0.00  -0.01    -0.02   0.00   0.01     0.01   0.00   0.00
    96  17    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    232                    233                    234
                      A                      A                      A
 Frequencies --   1614.6561              1630.2082              1630.7757
 Red. masses --      7.7576                 5.9132                 4.9142
 Frc consts  --     11.9162                 9.2589                 7.7000
 IR Inten    --     13.5086                 0.0663                29.6806
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.23  -0.18  -0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
     2   6     0.10   0.13   0.01    -0.00   0.01   0.00    -0.01   0.02   0.00
     3   6    -0.28  -0.10  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     4   6     0.28   0.22   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.14  -0.10  -0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.00
     6   6     0.27   0.02   0.01    -0.00   0.00   0.00    -0.02   0.01   0.00
     7   6     0.12  -0.03  -0.00    -0.00   0.00   0.00    -0.03  -0.01  -0.00
     8   6    -0.10   0.05   0.00     0.00  -0.00  -0.00     0.03   0.00   0.00
     9   6     0.12   0.02   0.00    -0.00   0.00   0.00    -0.06   0.06   0.00
    10   6    -0.15  -0.11  -0.01     0.00  -0.00  -0.00     0.00  -0.02  -0.00
    11   6    -0.01   0.08   0.00    -0.00  -0.00  -0.00     0.03   0.03   0.00
    12   6     0.01  -0.11  -0.00     0.00   0.00   0.00    -0.02  -0.02  -0.00
    13   6    -0.05   0.04   0.00    -0.00   0.00   0.00     0.04   0.01   0.00
    14   6     0.03  -0.03  -0.00    -0.00   0.00   0.00    -0.05  -0.03  -0.00
    15   7    -0.08   0.03  -0.00     0.01  -0.01  -0.00     0.10  -0.08  -0.00
    16   6     0.07   0.05   0.00    -0.00   0.01   0.00    -0.07   0.12   0.00
    17   6    -0.03  -0.06  -0.00     0.00  -0.01  -0.00     0.05  -0.09  -0.00
    18   7     0.07   0.04   0.00    -0.00   0.00   0.00    -0.02   0.02   0.00
    19   6    -0.07  -0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.05  -0.00
    20   6     0.06   0.05   0.00     0.00   0.00   0.00     0.02   0.04   0.00
    21   6    -0.00  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.04   0.00
    22   6     0.01   0.02   0.00    -0.00   0.00   0.00    -0.06   0.04   0.00
    23   7     0.01   0.01  -0.01    -0.01   0.01   0.00    -0.00  -0.00   0.00
    24   7     0.02   0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    25   7    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02
    26   6    -0.03  -0.00  -0.01    -0.00   0.00  -0.00    -0.05   0.02  -0.04
    27   6     0.02   0.00   0.01     0.00   0.00  -0.00     0.06   0.04  -0.02
    28   6    -0.02  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.02   0.02
    29   6     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.01
    30   6     0.05  -0.01  -0.03     0.20  -0.01  -0.15     0.01  -0.00  -0.00
    31   6    -0.05   0.03   0.01    -0.09   0.15  -0.05    -0.01   0.01  -0.00
    32   6     0.05  -0.04  -0.01    -0.15   0.07   0.06     0.02  -0.02  -0.00
    33   6    -0.01   0.04  -0.02     0.03  -0.20   0.14    -0.01   0.03  -0.02
    34   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.03  -0.03  -0.04
    35   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.02  -0.03
    36   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00    -0.20  -0.04   0.03
    37   6     0.01   0.00   0.00     0.01   0.01   0.01     0.11   0.15   0.14
    38   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.01
    39   6    -0.02  -0.02   0.02     0.00   0.00  -0.00     0.00  -0.00   0.01
    40   6     0.02   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    41   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    42   6     0.01  -0.01   0.01     0.00  -0.00   0.00     0.04  -0.00   0.02
    43   6    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00    -0.07  -0.02  -0.00
    44   6     0.03  -0.01   0.02     0.00  -0.00   0.00     0.07  -0.00   0.02
    45   6    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.04  -0.02   0.01
    46   6    -0.02   0.03  -0.01     0.09  -0.06  -0.02    -0.01   0.01  -0.00
    47   6     0.03  -0.07   0.04    -0.10   0.17  -0.07     0.01  -0.03   0.01
    48   6    -0.04   0.05  -0.01     0.16  -0.15   0.00    -0.02   0.02  -0.00
    49   6     0.00  -0.03   0.02    -0.04   0.12  -0.07     0.01  -0.01   0.01
    50   6    -0.03  -0.01   0.03    -0.12   0.02   0.08    -0.00   0.01  -0.00
    51   6     0.05  -0.03  -0.02     0.18  -0.15  -0.01     0.01  -0.01   0.00
    52   6    -0.07   0.01   0.05    -0.18   0.07   0.08    -0.01   0.00   0.00
    53   6     0.04  -0.00  -0.03     0.07  -0.09   0.02     0.01  -0.01   0.00
    54   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.11   0.04  -0.00
    55   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.00    -0.16  -0.13  -0.10
    56   6     0.00   0.00   0.00     0.01   0.00   0.00     0.22   0.08   0.02
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.08  -0.08  -0.07
    58   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02   0.02   0.03
    59   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.03   0.01  -0.00
    60   6     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.00   0.00
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.02   0.02
    62   1     0.18  -0.09  -0.00     0.00  -0.01   0.00     0.01  -0.03  -0.00
    63   1    -0.18  -0.02  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    64   1    -0.36   0.15   0.00     0.00   0.00  -0.00     0.03   0.00   0.00
    65   1    -0.11  -0.03  -0.00     0.00   0.00  -0.00    -0.03  -0.05  -0.00
    66   1     0.05   0.02   0.00     0.00  -0.00   0.00    -0.05   0.04   0.00
    67   1    -0.01  -0.07  -0.01     0.00   0.00   0.00     0.11   0.15   0.01
    68   1     0.16  -0.19  -0.01    -0.03   0.01  -0.00    -0.48   0.19  -0.00
    69   1     0.07  -0.05   0.00     0.01  -0.01  -0.00     0.06  -0.07  -0.00
    70   1    -0.04  -0.08  -0.00    -0.00  -0.00  -0.00    -0.04  -0.04  -0.00
    71   1     0.01   0.02   0.00     0.01   0.00   0.00     0.13   0.01   0.00
    72   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.02  -0.02   0.03
    73   1     0.02   0.04  -0.03    -0.00  -0.00   0.00     0.01   0.00   0.00
    74   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.02   0.00   0.00
    75   1    -0.03   0.01  -0.02     0.00  -0.00   0.00     0.01  -0.01   0.01
    76   1     0.01   0.01  -0.01     0.00   0.00  -0.00     0.05   0.03  -0.01
    77   1     0.01   0.02  -0.01     0.00   0.00  -0.00     0.08   0.06  -0.03
    78   1    -0.04   0.01  -0.02    -0.00   0.00  -0.00    -0.06   0.04  -0.06
    79   1    -0.02  -0.01   0.01    -0.00   0.00  -0.00    -0.04   0.03  -0.04
    80   1    -0.03   0.03  -0.01    -0.03  -0.13   0.13    -0.01   0.01  -0.00
    81   1    -0.02   0.10  -0.07    -0.01  -0.21   0.18    -0.00   0.03  -0.03
    82   1     0.06  -0.02  -0.04    -0.30   0.14   0.11     0.03  -0.02  -0.01
    83   1     0.05  -0.01  -0.04    -0.17   0.08   0.07     0.02  -0.01  -0.00
    84   1    -0.01   0.06  -0.04    -0.10   0.16  -0.06    -0.01   0.00   0.00
    85   1    -0.02   0.05  -0.03    -0.17   0.29  -0.10    -0.01   0.01  -0.00
    86   1     0.10  -0.01  -0.07     0.21   0.03  -0.19     0.01   0.00  -0.01
    87   1     0.03  -0.04   0.01     0.13   0.04  -0.13     0.01  -0.00  -0.00
    88   1     0.01  -0.00  -0.01     0.00   0.00   0.00     0.06   0.11   0.10
    89   1     0.01   0.01   0.00     0.00   0.01   0.01     0.09   0.20   0.21
    90   1    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.32  -0.01   0.10
    91   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.17  -0.02   0.04
    92   1     0.00   0.01   0.01     0.00   0.00  -0.00    -0.03  -0.04  -0.04
    93   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03  -0.02
    94   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
    95   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.05  -0.06
    96  17    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
                    235                    236                    237
                      A                      A                      A
 Frequencies --   1630.8503              1631.1450              1632.6312
 Red. masses --      5.9175                 5.3462                 6.7417
 Frc consts  --      9.2729                 8.3807                10.5875
 IR Inten    --      0.0322                14.0442                12.2381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.08   0.04  -0.01
     2   6    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.04   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.06  -0.01   0.00
     4   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.05  -0.03  -0.00
     5   6     0.00  -0.01  -0.00    -0.01   0.02   0.00     0.04   0.00   0.00
     6   6    -0.01   0.00   0.00     0.02  -0.01  -0.00    -0.08   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.02   0.00   0.00     0.00   0.01   0.00
     8   6     0.00  -0.00  -0.00    -0.02   0.00  -0.00     0.01  -0.00   0.00
     9   6    -0.01   0.01   0.00     0.05  -0.05  -0.00    -0.01  -0.01  -0.00
    10   6     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.02  -0.02  -0.00
    12   6    -0.00   0.00  -0.00     0.01   0.01   0.00     0.03   0.00   0.00
    13   6     0.01  -0.00  -0.00    -0.04  -0.01  -0.00    -0.03   0.00  -0.00
    14   6    -0.00   0.00   0.00     0.04   0.02   0.00     0.01   0.00   0.00
    15   7     0.02  -0.01  -0.00    -0.08   0.06   0.00     0.00   0.00   0.00
    16   6    -0.01   0.02   0.00     0.05  -0.09  -0.00    -0.01  -0.01  -0.00
    17   6     0.01  -0.01  -0.00    -0.04   0.07   0.00     0.00   0.01   0.00
    18   7    -0.00   0.00   0.00     0.02  -0.02  -0.00     0.00  -0.01  -0.00
    19   6     0.00  -0.01  -0.00     0.00   0.03   0.00     0.01   0.01   0.00
    20   6     0.00   0.01   0.00    -0.02  -0.03  -0.00    -0.01  -0.01  -0.00
    21   6     0.01  -0.01   0.00    -0.02   0.03  -0.00     0.00   0.00  -0.00
    22   6    -0.01   0.01   0.00     0.05  -0.03  -0.00    -0.00  -0.00  -0.00
    23   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.03   0.05
    24   7    -0.02  -0.01   0.00     0.00   0.01  -0.01    -0.01   0.02  -0.02
    25   7    -0.00  -0.00  -0.00    -0.02   0.01   0.02    -0.00   0.00   0.00
    26   6     0.17  -0.08   0.13     0.01  -0.00   0.01     0.07  -0.01   0.03
    27   6    -0.12  -0.09   0.05    -0.03  -0.01   0.01    -0.09  -0.04   0.01
    28   6    -0.18  -0.01  -0.05     0.04   0.02  -0.00     0.09   0.03   0.00
    29   6     0.11   0.18  -0.14    -0.03  -0.03   0.02    -0.05  -0.05   0.03
    30   6     0.00  -0.00  -0.00    -0.01   0.00   0.00     0.15  -0.05  -0.08
    31   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.16   0.17  -0.02
    32   6     0.00  -0.00   0.00    -0.02   0.02  -0.00     0.19  -0.15  -0.02
    33   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.07   0.16  -0.08
    34   6     0.01  -0.01  -0.01     0.22  -0.05  -0.14     0.01  -0.00  -0.00
    35   6    -0.00  -0.01  -0.01    -0.20  -0.11  -0.06    -0.01  -0.01  -0.00
    36   6    -0.04  -0.01   0.01    -0.02   0.03   0.04     0.01   0.00   0.00
    37   6     0.02   0.03   0.03     0.02   0.06   0.06    -0.01  -0.01  -0.00
    38   6     0.11   0.02   0.02    -0.02  -0.01   0.01    -0.04  -0.02   0.00
    39   6    -0.16  -0.13   0.07     0.03   0.03  -0.02     0.06   0.05  -0.03
    40   6     0.22   0.08  -0.01    -0.04  -0.01   0.00    -0.08  -0.03  -0.00
    41   6    -0.08  -0.10   0.08     0.01   0.01  -0.01     0.04   0.02  -0.01
    42   6    -0.11   0.03  -0.07    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01
    43   6     0.20   0.06   0.01     0.02   0.01  -0.00     0.09   0.03  -0.00
    44   6    -0.18   0.01  -0.07    -0.02  -0.00  -0.01    -0.08   0.00  -0.03
    45   6     0.09   0.05  -0.02     0.01   0.01  -0.00     0.05   0.02  -0.00
    46   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.10   0.08   0.01
    47   6     0.00  -0.00   0.00    -0.01   0.02  -0.01     0.09  -0.17   0.07
    48   6    -0.00   0.00  -0.00     0.02  -0.02   0.00    -0.17   0.14   0.01
    49   6     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.07  -0.08   0.02
    50   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.09   0.07   0.01
    51   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.16  -0.16   0.01
    52   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.17   0.07   0.07
    53   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.08  -0.09   0.01
    54   6     0.02   0.01  -0.00     0.03  -0.01  -0.02    -0.00  -0.00  -0.00
    55   6    -0.03  -0.03  -0.02    -0.04  -0.03  -0.02     0.01   0.01   0.00
    56   6     0.05   0.02   0.00     0.05   0.02   0.01    -0.01  -0.00  -0.00
    57   6    -0.02  -0.02  -0.02    -0.01  -0.04  -0.04     0.00   0.00   0.00
    58   6    -0.01   0.00   0.01    -0.14   0.01   0.07    -0.01  -0.00   0.00
    59   6     0.02   0.00  -0.00     0.26   0.08   0.00     0.01   0.00   0.00
    60   6    -0.01  -0.00   0.00    -0.24  -0.00   0.09    -0.01  -0.00   0.00
    61   6     0.01   0.01   0.00     0.13   0.05   0.02     0.01   0.00   0.00
    62   1     0.00  -0.01  -0.00    -0.00   0.03   0.00    -0.02  -0.07  -0.01
    63   1     0.00   0.01   0.00    -0.00  -0.02  -0.00     0.04   0.01   0.00
    64   1     0.01   0.00   0.00    -0.03  -0.00  -0.00     0.09  -0.04  -0.01
    65   1    -0.00  -0.01  -0.00     0.02   0.04   0.00     0.05   0.06   0.00
    66   1    -0.01   0.00   0.00     0.04  -0.03  -0.00     0.04  -0.01   0.00
    67   1     0.00   0.01   0.00    -0.09  -0.11  -0.01     0.01  -0.01  -0.00
    68   1    -0.07   0.03  -0.00     0.38  -0.16   0.00     0.01   0.02   0.00
    69   1     0.01  -0.01  -0.00    -0.06   0.05   0.00    -0.02   0.01  -0.00
    70   1    -0.01  -0.00   0.00     0.02   0.03   0.00     0.01   0.02   0.00
    71   1     0.02   0.00   0.00    -0.11  -0.01  -0.00    -0.00  -0.00  -0.00
    72   1     0.03   0.14  -0.12    -0.02  -0.01   0.00    -0.04  -0.03   0.02
    73   1     0.08   0.22  -0.18    -0.02  -0.04   0.03    -0.03  -0.08   0.07
    74   1    -0.34   0.00  -0.11     0.05  -0.00   0.02     0.11   0.00   0.03
    75   1    -0.19  -0.01  -0.06     0.03   0.01   0.00     0.05   0.02   0.00
    76   1    -0.15  -0.11   0.06    -0.01  -0.00  -0.00    -0.05  -0.01  -0.01
    77   1    -0.25  -0.19   0.09    -0.03  -0.02   0.01    -0.10  -0.07   0.03
    78   1     0.17  -0.11   0.16     0.02  -0.01   0.02     0.07  -0.05   0.07
    79   1     0.09  -0.09   0.11     0.01  -0.01   0.01     0.05  -0.01   0.03
    80   1    -0.00   0.00   0.00     0.01  -0.01   0.00    -0.04   0.12  -0.06
    81   1    -0.00   0.01  -0.00     0.00  -0.02   0.02     0.00   0.21  -0.18
    82   1     0.01  -0.00  -0.00    -0.03   0.01   0.01     0.26  -0.13  -0.09
    83   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.08  -0.10   0.02
    84   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.10   0.06   0.03
    85   1    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.16   0.24  -0.07
    86   1     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.19   0.04  -0.17
    87   1     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.12  -0.02  -0.07
    88   1     0.01   0.02   0.02    -0.03   0.05   0.07    -0.01  -0.00  -0.00
    89   1     0.02   0.04   0.05     0.01   0.04   0.05    -0.00  -0.01  -0.01
    90   1    -0.07  -0.00   0.02    -0.11  -0.01   0.03     0.01   0.00  -0.00
    91   1    -0.04  -0.00   0.01    -0.08   0.01   0.05     0.01   0.00   0.00
    92   1    -0.01  -0.01  -0.01    -0.17  -0.10  -0.06    -0.01  -0.00   0.00
    93   1    -0.02  -0.02  -0.01    -0.30  -0.21  -0.14    -0.01  -0.01  -0.00
    94   1     0.01  -0.01  -0.01     0.23  -0.12  -0.23     0.01  -0.00  -0.01
    95   1     0.01  -0.01  -0.02     0.13  -0.06  -0.12     0.01  -0.00  -0.01
    96  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    238                    239                    240
                      A                      A                      A
 Frequencies --   1633.8270              1635.8362              1649.9066
 Red. masses --      6.8024                 4.3449                 5.8341
 Frc consts  --     10.6986                 6.8504                 9.3571
 IR Inten    --     14.9593               128.8443               397.8909
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.00     0.01   0.03  -0.00     0.05  -0.09  -0.01
     2   6    -0.02  -0.02  -0.00     0.00  -0.03  -0.00    -0.05   0.13   0.01
     3   6     0.05   0.01   0.00     0.01   0.02   0.00     0.04  -0.08  -0.00
     4   6    -0.04  -0.02  -0.00    -0.02  -0.03  -0.00    -0.02   0.06   0.00
     5   6     0.01   0.01   0.00    -0.00   0.02   0.00     0.07  -0.11  -0.00
     6   6    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00    -0.11   0.07   0.00
     7   6    -0.06   0.01   0.00     0.02   0.01   0.00     0.07   0.05   0.00
     8   6     0.04  -0.03  -0.00    -0.03  -0.01  -0.00    -0.04  -0.03  -0.00
     9   6    -0.02   0.02   0.00     0.08  -0.08  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.00     0.00   0.04   0.00    -0.00   0.00   0.00
    11   6     0.04  -0.01   0.00    -0.03  -0.05  -0.00    -0.09  -0.09  -0.01
    12   6    -0.05   0.06  -0.01     0.01   0.05  -0.00     0.07   0.04   0.00
    13   6     0.06  -0.02  -0.00    -0.04  -0.03  -0.00    -0.12  -0.02  -0.00
    14   6    -0.03   0.01   0.00     0.07   0.05   0.00     0.10   0.06   0.00
    15   7     0.02  -0.02  -0.00    -0.12   0.11   0.00     0.02  -0.00   0.00
    16   6    -0.00   0.04   0.00     0.06  -0.17  -0.01    -0.04   0.01   0.00
    17   6    -0.01  -0.03  -0.00    -0.02   0.13   0.01     0.04  -0.00  -0.00
    18   7     0.01   0.00   0.00     0.01  -0.03  -0.00    -0.00   0.00   0.00
    19   6    -0.01  -0.02  -0.00     0.04   0.07   0.00     0.06   0.00   0.00
    20   6     0.01   0.02   0.00    -0.07  -0.09  -0.01    -0.05  -0.02  -0.00
    21   6     0.02  -0.04  -0.01    -0.03   0.09   0.01     0.05  -0.01   0.00
    22   6    -0.01   0.02   0.00     0.04  -0.06  -0.00    -0.07   0.01  -0.00
    23   7    -0.01  -0.01   0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    24   7     0.01  -0.04   0.04     0.02  -0.01   0.01    -0.01   0.01  -0.01
    25   7    -0.01   0.02   0.02     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    26   6    -0.15   0.02  -0.07    -0.06   0.01  -0.03     0.01  -0.04   0.04
    27   6     0.20   0.09  -0.02     0.08   0.02   0.00     0.03   0.04  -0.02
    28   6    -0.20  -0.06  -0.01    -0.08  -0.01  -0.02    -0.07   0.05  -0.06
    29   6     0.11   0.10  -0.07     0.03   0.03  -0.02     0.01  -0.07   0.07
    30   6     0.05  -0.02  -0.03     0.02  -0.01  -0.01     0.03   0.03  -0.05
    31   6    -0.05   0.06  -0.01    -0.02   0.02  -0.00     0.02  -0.06   0.03
    32   6     0.06  -0.05  -0.01     0.02  -0.01  -0.01    -0.09  -0.01   0.07
    33   6    -0.02   0.05  -0.02    -0.01   0.01  -0.00     0.03   0.06  -0.08
    34   6     0.08  -0.00  -0.04    -0.07   0.00   0.03    -0.03   0.04   0.06
    35   6    -0.11  -0.04  -0.01     0.10   0.04   0.01    -0.03  -0.06  -0.06
    36   6     0.12   0.03  -0.01    -0.12  -0.03   0.02     0.05  -0.01  -0.03
    37   6    -0.06  -0.06  -0.05     0.06   0.05   0.04    -0.01   0.03   0.04
    38   6     0.10   0.03   0.00     0.05  -0.00   0.02     0.07  -0.08   0.10
    39   6    -0.13  -0.10   0.06    -0.04  -0.02   0.01    -0.01   0.06  -0.06
    40   6     0.18   0.05   0.01     0.07   0.01   0.01     0.06  -0.02   0.04
    41   6    -0.09  -0.04   0.01    -0.04  -0.00  -0.01    -0.06   0.07  -0.08
    42   6     0.10   0.02   0.01     0.04   0.01   0.01     0.01   0.05  -0.05
    43   6    -0.20  -0.07   0.01    -0.07  -0.03   0.00    -0.02  -0.03   0.03
    44   6     0.17  -0.00   0.06     0.06  -0.00   0.02    -0.02   0.03  -0.04
    45   6    -0.11  -0.05   0.01    -0.04  -0.01  -0.00    -0.01  -0.06   0.06
    46   6    -0.03   0.02   0.01    -0.02   0.00   0.01     0.10   0.05  -0.11
    47   6     0.03  -0.05   0.02     0.01  -0.01   0.00    -0.03  -0.06   0.07
    48   6    -0.06   0.04   0.01    -0.02   0.01   0.00     0.07  -0.00  -0.05
    49   6     0.03  -0.03   0.00     0.01  -0.01  -0.00    -0.08  -0.04   0.10
    50   6    -0.03   0.02   0.00    -0.01   0.01  -0.00    -0.02  -0.06   0.06
    51   6     0.05  -0.05   0.00     0.02  -0.02   0.00    -0.01   0.05  -0.03
    52   6    -0.05   0.03   0.02    -0.02   0.01   0.01    -0.03  -0.03   0.05
    53   6     0.03  -0.03   0.01     0.01  -0.01   0.00     0.02   0.07  -0.07
    54   6    -0.06  -0.02   0.00     0.07   0.01  -0.02    -0.04   0.04   0.06
    55   6     0.08   0.06   0.04    -0.08  -0.05  -0.03     0.01  -0.03  -0.04
    56   6    -0.11  -0.03  -0.00     0.12   0.03  -0.01    -0.04   0.01   0.03
    57   6     0.05   0.02   0.01    -0.06  -0.02  -0.00     0.04  -0.03  -0.06
    58   6    -0.05  -0.01   0.00     0.05   0.02   0.00    -0.00  -0.07  -0.08
    59   6     0.10   0.04   0.01    -0.09  -0.04  -0.01     0.03   0.04   0.04
    60   6    -0.09  -0.00   0.03     0.08   0.01  -0.02     0.03  -0.04  -0.06
    61   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.00   0.08   0.09
    62   1    -0.03   0.02  -0.00    -0.02   0.04   0.00     0.08  -0.26  -0.01
    63   1     0.02   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.14   0.01
    64   1     0.02  -0.02  -0.00    -0.01  -0.01  -0.00     0.17   0.02   0.00
    65   1    -0.01  -0.06  -0.01     0.05   0.05   0.00     0.15   0.19   0.01
    66   1    -0.08   0.00  -0.00     0.05  -0.06  -0.01     0.14  -0.07  -0.00
    67   1    -0.00   0.05   0.00    -0.17  -0.20  -0.02    -0.09  -0.16  -0.02
    68   1    -0.09   0.03  -0.00     0.60  -0.24   0.00    -0.09  -0.01  -0.00
    69   1     0.03  -0.03  -0.00    -0.14   0.12   0.01    -0.07   0.03  -0.00
    70   1    -0.02  -0.01  -0.00     0.08   0.10   0.01     0.02   0.07   0.00
    71   1     0.02   0.02  -0.00    -0.11  -0.05  -0.00     0.09  -0.01   0.00
    72   1     0.08   0.08  -0.04     0.01   0.05  -0.04    -0.09   0.10  -0.12
    73   1     0.06   0.17  -0.14     0.01   0.05  -0.05    -0.08  -0.04   0.01
    74   1    -0.24  -0.01  -0.07    -0.09  -0.01  -0.02    -0.08  -0.05   0.02
    75   1    -0.09  -0.05   0.02    -0.02  -0.03   0.02     0.07  -0.08   0.10
    76   1     0.11   0.01   0.02     0.04  -0.00   0.01    -0.01  -0.07   0.06
    77   1     0.22   0.15  -0.07     0.08   0.05  -0.02     0.06   0.01   0.01
    78   1    -0.15   0.11  -0.15    -0.05   0.04  -0.05     0.05   0.01   0.00
    79   1    -0.11   0.04  -0.07    -0.04   0.00  -0.01     0.00   0.07  -0.06
    80   1    -0.01   0.04  -0.02     0.00   0.02  -0.02    -0.12  -0.06   0.14
    81   1     0.00   0.06  -0.05     0.01   0.01  -0.02    -0.07   0.08  -0.01
    82   1     0.08  -0.04  -0.03     0.03  -0.02  -0.01    -0.06   0.08  -0.03
    83   1     0.02  -0.03   0.01     0.00  -0.01   0.01     0.10   0.04  -0.12
    84   1    -0.04   0.02   0.01    -0.01   0.00   0.01     0.02   0.07  -0.08
    85   1    -0.06   0.08  -0.02    -0.02   0.03  -0.01     0.06  -0.04  -0.02
    86   1     0.06   0.01  -0.06     0.02   0.01  -0.02     0.05  -0.04  -0.01
    87   1     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.03  -0.07   0.08
    88   1    -0.04  -0.05  -0.04     0.02   0.06   0.06     0.05  -0.05  -0.07
    89   1    -0.03  -0.09  -0.10     0.02   0.08   0.09     0.05   0.02   0.01
    90   1     0.15   0.01  -0.04    -0.16  -0.02   0.03     0.05   0.03   0.02
    91   1     0.06   0.03   0.01    -0.05  -0.04  -0.03    -0.05   0.04   0.07
    92   1    -0.06  -0.01   0.01     0.05  -0.00  -0.02     0.01   0.08   0.10
    93   1    -0.11  -0.07  -0.04     0.10   0.06   0.04    -0.08  -0.01   0.02
    94   1     0.08  -0.04  -0.08    -0.07   0.04   0.07    -0.08  -0.02   0.01
    95   1     0.06  -0.01  -0.03    -0.05   0.01   0.03    -0.01  -0.10  -0.11
    96  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    241                    242                    243
                      A                      A                      A
 Frequencies --   1651.0608              1651.4745              1653.6086
 Red. masses --      6.4627                 6.5722                 5.8194
 Frc consts  --     10.3798                10.5610                 9.3755
 IR Inten    --     11.3002                29.2245               402.4906
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.04  -0.00   0.01     0.02  -0.14   0.00
     2   6     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.04   0.17   0.01
     3   6    -0.01   0.01   0.00    -0.05   0.02  -0.00     0.03  -0.10  -0.00
     4   6     0.01  -0.01  -0.00     0.03  -0.01   0.00    -0.01   0.09   0.00
     5   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.08  -0.15  -0.01
     6   6     0.01  -0.01  -0.00     0.05  -0.01  -0.00    -0.10   0.09   0.00
     7   6    -0.01  -0.01  -0.00     0.03  -0.01  -0.00     0.08   0.07   0.00
     8   6    -0.00   0.01   0.00    -0.02   0.01   0.00    -0.05  -0.05  -0.00
     9   6     0.03  -0.02  -0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    10   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    11   6     0.02   0.01   0.00    -0.02   0.01  -0.00    -0.10  -0.12  -0.01
    12   6    -0.02   0.01  -0.00     0.02  -0.04   0.00     0.07   0.09  -0.00
    13   6     0.02  -0.01   0.00    -0.02   0.01   0.00    -0.14  -0.04  -0.00
    14   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.00     0.13   0.09   0.01
    15   7    -0.02   0.02   0.00     0.02  -0.01  -0.00     0.03  -0.01  -0.00
    16   6    -0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.03   0.04   0.00
    17   6     0.04   0.03   0.00     0.01  -0.01  -0.00     0.03  -0.03  -0.00
    18   7     0.00  -0.01  -0.00    -0.01   0.00  -0.00    -0.01   0.01   0.00
    19   6     0.06   0.02   0.00    -0.01  -0.01  -0.00     0.04  -0.01   0.00
    20   6    -0.05  -0.04  -0.00     0.01   0.00   0.00    -0.03   0.00   0.00
    21   6     0.03   0.03   0.01    -0.01   0.01   0.00     0.04  -0.04  -0.01
    22   6    -0.05  -0.01  -0.00     0.00  -0.00  -0.00    -0.06   0.03   0.00
    23   7     0.01   0.00  -0.01     0.02   0.02  -0.03     0.01   0.03  -0.02
    24   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.00  -0.02   0.02
    25   7     0.01  -0.03  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.01
    26   6    -0.04   0.06  -0.07     0.05  -0.08   0.09    -0.05   0.05  -0.07
    27   6    -0.03  -0.06   0.05     0.03   0.08  -0.07    -0.00  -0.07   0.06
    28   6     0.06  -0.04   0.06    -0.08   0.05  -0.07     0.01  -0.00   0.00
    29   6    -0.01   0.07  -0.07     0.01  -0.10   0.10    -0.00   0.03  -0.03
    30   6    -0.02  -0.02   0.03    -0.07  -0.05   0.10    -0.08  -0.04   0.10
    31   6    -0.00   0.03  -0.02    -0.01   0.09  -0.07     0.02   0.07  -0.08
    32   6     0.03   0.00  -0.02     0.10   0.01  -0.09     0.03   0.00  -0.02
    33   6    -0.01  -0.03   0.03    -0.04  -0.09   0.11    -0.02  -0.05   0.05
    34   6    -0.07   0.09   0.13    -0.02   0.02   0.04     0.02  -0.02  -0.04
    35   6    -0.05  -0.10  -0.11    -0.01  -0.03  -0.03     0.01   0.02   0.02
    36   6     0.10  -0.04  -0.08     0.03  -0.01  -0.03    -0.03   0.03   0.04
    37   6    -0.01   0.09   0.12    -0.00   0.03   0.04    -0.00  -0.04  -0.05
    38   6    -0.06   0.08  -0.10     0.08  -0.10   0.13    -0.01   0.02  -0.03
    39   6     0.00  -0.06   0.06    -0.00   0.09  -0.08    -0.01  -0.03   0.02
    40   6    -0.05   0.03  -0.04     0.06  -0.03   0.05    -0.00   0.01  -0.01
    41   6     0.05  -0.07   0.09    -0.07   0.09  -0.11     0.01  -0.02   0.03
    42   6    -0.00  -0.08   0.08     0.00   0.11  -0.11     0.00  -0.07   0.07
    43   6     0.02   0.05  -0.04    -0.02  -0.06   0.05     0.01   0.04  -0.03
    44   6     0.04  -0.05   0.06    -0.05   0.07  -0.08     0.04  -0.04   0.06
    45   6     0.00   0.10  -0.09    -0.00  -0.13   0.12    -0.00   0.09  -0.08
    46   6    -0.03  -0.02   0.04    -0.12  -0.07   0.14    -0.04  -0.03   0.06
    47   6     0.01   0.02  -0.03     0.03   0.08  -0.09     0.01   0.04  -0.04
    48   6    -0.02  -0.00   0.02    -0.07  -0.01   0.06    -0.02  -0.01   0.02
    49   6     0.03   0.02  -0.04     0.10   0.06  -0.13     0.04   0.03  -0.05
    50   6     0.01   0.03  -0.03     0.04   0.10  -0.11     0.04   0.08  -0.10
    51   6     0.00  -0.02   0.02     0.00  -0.07   0.05    -0.00  -0.05   0.05
    52   6     0.02   0.01  -0.02     0.07   0.04  -0.09     0.07   0.03  -0.08
    53   6    -0.01  -0.03   0.04    -0.04  -0.11   0.13    -0.04  -0.10   0.11
    54   6    -0.10   0.10   0.15    -0.03   0.03   0.05     0.04  -0.04  -0.07
    55   6     0.01  -0.08  -0.10     0.00  -0.03  -0.03     0.00   0.04   0.04
    56   6    -0.08   0.03   0.06    -0.02   0.01   0.02     0.02  -0.01  -0.03
    57   6     0.08  -0.08  -0.14     0.03  -0.03  -0.05    -0.03   0.04   0.06
    58   6    -0.00  -0.13  -0.16     0.00  -0.04  -0.04    -0.00   0.03   0.04
    59   6     0.04   0.08   0.08     0.01   0.02   0.02     0.00  -0.01  -0.02
    60   6     0.06  -0.07  -0.11     0.02  -0.02  -0.03    -0.02   0.02   0.03
    61   6     0.00   0.15   0.18     0.00   0.04   0.05     0.00  -0.03  -0.04
    62   1    -0.01   0.04   0.00     0.00   0.06   0.01     0.10  -0.28  -0.00
    63   1    -0.00  -0.01  -0.00    -0.01  -0.05  -0.00    -0.02   0.19   0.02
    64   1    -0.02   0.00   0.00    -0.06   0.01   0.00     0.19   0.04   0.01
    65   1    -0.03  -0.04  -0.00    -0.01   0.02   0.01     0.18   0.21   0.01
    66   1    -0.02  -0.00  -0.00     0.02   0.01   0.00     0.16  -0.10  -0.01
    67   1    -0.01  -0.01  -0.00     0.01  -0.00   0.00    -0.14  -0.21  -0.02
    68   1     0.08  -0.04   0.00    -0.06   0.03   0.00    -0.15  -0.01  -0.00
    69   1    -0.08   0.05   0.00     0.01  -0.01   0.00    -0.04   0.00  -0.00
    70   1     0.03   0.07   0.01    -0.01  -0.02   0.00     0.00   0.04  -0.00
    71   1     0.06  -0.02   0.00     0.01  -0.00   0.00     0.08   0.01  -0.00
    72   1     0.08  -0.09   0.11    -0.11   0.12  -0.15     0.02  -0.02   0.02
    73   1     0.09   0.04  -0.01    -0.11  -0.06   0.02     0.03   0.02  -0.01
    74   1     0.07   0.05  -0.03    -0.08  -0.06   0.04     0.01   0.01  -0.01
    75   1    -0.08   0.07  -0.10     0.10  -0.09   0.13    -0.03   0.02  -0.03
    76   1     0.02   0.10  -0.09    -0.03  -0.13   0.12     0.03   0.09  -0.08
    77   1    -0.08  -0.00  -0.03     0.09  -0.00   0.04    -0.05   0.01  -0.03
    78   1    -0.09  -0.01  -0.02     0.12   0.02   0.02    -0.09  -0.01  -0.02
    79   1    -0.01  -0.12   0.11     0.02   0.15  -0.13    -0.02  -0.11   0.10
    80   1     0.04   0.02  -0.05     0.15   0.07  -0.17     0.06   0.02  -0.06
    81   1     0.03  -0.03   0.01     0.09  -0.11   0.02     0.04  -0.05   0.02
    82   1     0.02  -0.03   0.01     0.06  -0.09   0.04     0.01  -0.03   0.02
    83   1    -0.04  -0.01   0.04    -0.13  -0.05   0.15    -0.06  -0.01   0.06
    84   1    -0.01  -0.04   0.04    -0.02  -0.13   0.13    -0.01  -0.11   0.11
    85   1    -0.03   0.01   0.01    -0.09   0.04   0.04    -0.07   0.02   0.04
    86   1    -0.03   0.02   0.01    -0.10   0.07   0.02    -0.10   0.05   0.03
    87   1     0.01   0.04  -0.04     0.04   0.14  -0.14     0.03   0.14  -0.13
    88   1     0.12  -0.11  -0.18     0.04  -0.04  -0.06    -0.06   0.05   0.08
    89   1     0.13   0.06   0.03     0.04   0.02   0.01    -0.05  -0.03  -0.02
    90   1     0.10   0.07   0.05     0.03   0.02   0.02    -0.03  -0.03  -0.02
    91   1    -0.12   0.09   0.16    -0.04   0.03   0.05     0.05  -0.03  -0.06
    92   1     0.03   0.16   0.18     0.01   0.04   0.05    -0.01  -0.04  -0.04
    93   1    -0.13  -0.01   0.04    -0.04  -0.00   0.01     0.02  -0.00  -0.01
    94   1    -0.16  -0.03   0.02    -0.04  -0.01   0.01     0.04   0.00  -0.01
    95   1    -0.02  -0.18  -0.21    -0.01  -0.05  -0.06     0.01   0.04   0.04
    96  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    244                    245                    246
                      A                      A                      A
 Frequencies --   1661.0620              1662.8132              1672.4199
 Red. masses --      5.9937                 6.3085                 6.6015
 Frc consts  --      9.7435                10.2769                10.8788
 IR Inten    --    187.4391               188.4054                 3.6436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10   0.00    -0.03   0.06   0.00     0.02  -0.04  -0.00
     2   6     0.05  -0.14  -0.01     0.04  -0.09  -0.00    -0.01   0.05   0.00
     3   6    -0.09   0.07   0.00    -0.07   0.06   0.00     0.01  -0.03  -0.00
     4   6     0.02  -0.09  -0.00     0.06  -0.06  -0.00    -0.01   0.01   0.00
     5   6    -0.07   0.15   0.01    -0.06   0.10   0.00     0.02  -0.03  -0.00
     6   6     0.10  -0.09  -0.00     0.09  -0.06  -0.00    -0.04   0.02   0.00
     7   6     0.13   0.05   0.00     0.03  -0.03  -0.00     0.05   0.03   0.00
     8   6    -0.05  -0.08  -0.00    -0.04   0.01   0.00    -0.03  -0.03  -0.00
     9   6    -0.09   0.06   0.00     0.04  -0.02  -0.00    -0.01   0.01   0.00
    10   6     0.08   0.02   0.00    -0.05   0.03   0.00     0.01  -0.00   0.00
    11   6    -0.13  -0.13  -0.01    -0.00   0.02   0.00    -0.06  -0.07  -0.00
    12   6     0.07   0.09   0.00    -0.00  -0.02  -0.00     0.06   0.04   0.00
    13   6    -0.15  -0.04  -0.00    -0.02   0.00   0.00    -0.08  -0.02  -0.00
    14   6     0.15   0.12   0.01     0.02   0.00   0.00     0.07   0.05   0.00
    15   7     0.10  -0.06  -0.00     0.02   0.00   0.00     0.01  -0.00  -0.00
    16   6    -0.02   0.05   0.00    -0.14   0.02  -0.00    -0.01   0.00   0.00
    17   6    -0.00  -0.06  -0.00     0.15   0.00   0.00     0.01  -0.01  -0.00
    18   7    -0.07   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00  -0.00
    19   6    -0.10  -0.03  -0.00     0.25   0.02   0.00    -0.00  -0.00  -0.00
    20   6     0.10   0.06   0.00    -0.19  -0.08  -0.00     0.00   0.00   0.00
    21   6    -0.07   0.01   0.00     0.19  -0.07  -0.01     0.00  -0.00  -0.00
    22   6     0.07  -0.01   0.00    -0.24   0.06   0.00    -0.00   0.00   0.00
    23   7    -0.01  -0.01   0.01    -0.00  -0.01   0.00    -0.00   0.01  -0.00
    24   7     0.00  -0.01   0.01     0.01   0.01  -0.00    -0.01  -0.01   0.00
    25   7     0.01  -0.00  -0.01    -0.02   0.02   0.02    -0.00   0.00   0.00
    26   6    -0.04   0.06  -0.07    -0.00   0.01  -0.01     0.02  -0.11   0.11
    27   6    -0.00  -0.08   0.07    -0.00  -0.02   0.02     0.03   0.14  -0.12
    28   6    -0.04   0.04  -0.05    -0.01   0.02  -0.02     0.10  -0.10   0.13
    29   6     0.01  -0.03   0.03     0.00  -0.02   0.02    -0.04   0.11  -0.12
    30   6     0.05   0.03  -0.06     0.03   0.02  -0.04     0.05   0.07  -0.09
    31   6    -0.02  -0.06   0.07    -0.01  -0.04   0.04    -0.02  -0.10   0.10
    32   6     0.04   0.02  -0.05     0.03   0.01  -0.03     0.10   0.04  -0.10
    33   6    -0.02  -0.02   0.03    -0.01  -0.02   0.02    -0.06  -0.06   0.10
    34   6     0.00  -0.01  -0.01    -0.00   0.03   0.04     0.00  -0.00  -0.00
    35   6     0.00   0.02   0.02    -0.01  -0.07  -0.08     0.00   0.00   0.00
    36   6     0.02  -0.02  -0.04    -0.06   0.07   0.11     0.00  -0.00  -0.00
    37   6    -0.00   0.03   0.04     0.01  -0.09  -0.11    -0.00   0.00   0.00
    38   6     0.03  -0.04   0.04     0.01  -0.02   0.02    -0.09   0.10  -0.13
    39   6    -0.01   0.02  -0.02    -0.00   0.01  -0.01     0.02  -0.06   0.07
    40   6     0.04  -0.01   0.02     0.01  -0.00   0.01    -0.09   0.03  -0.05
    41   6    -0.03   0.03  -0.04    -0.01   0.01  -0.02     0.08  -0.10   0.12
    42   6     0.00  -0.07   0.07    -0.00  -0.01   0.01     0.01   0.13  -0.12
    43   6     0.02   0.04  -0.03     0.01   0.01  -0.01    -0.06  -0.07   0.05
    44   6     0.03  -0.04   0.05    -0.00  -0.01   0.01    -0.02   0.06  -0.06
    45   6     0.00   0.08  -0.08     0.00   0.02  -0.01    -0.01  -0.13   0.12
    46   6    -0.04  -0.01   0.04    -0.03  -0.01   0.03    -0.09  -0.04   0.10
    47   6     0.01   0.01  -0.02     0.01   0.01  -0.02     0.03   0.04  -0.05
    48   6    -0.03   0.01   0.02    -0.02   0.00   0.01    -0.07   0.01   0.04
    49   6     0.03   0.01  -0.03     0.02   0.01  -0.03     0.08   0.04  -0.10
    50   6    -0.02  -0.05   0.06    -0.01  -0.03   0.04    -0.03  -0.09   0.10
    51   6    -0.00   0.04  -0.03    -0.00   0.02  -0.02    -0.02   0.07  -0.04
    52   6    -0.03  -0.02   0.04    -0.02  -0.01   0.02    -0.03  -0.03   0.05
    53   6     0.02   0.06  -0.07     0.01   0.04  -0.04     0.03   0.09  -0.10
    54   6    -0.02   0.03   0.04     0.07  -0.08  -0.12    -0.00   0.00   0.00
    55   6     0.00  -0.02  -0.03    -0.00   0.06   0.08     0.00  -0.00  -0.00
    56   6    -0.02   0.01   0.02     0.05  -0.02  -0.05    -0.00   0.00   0.00
    57   6     0.02  -0.02  -0.04    -0.06   0.07   0.11     0.00  -0.00  -0.00
    58   6     0.00   0.02   0.02    -0.01  -0.05  -0.05     0.00   0.00   0.00
    59   6    -0.01  -0.01  -0.01     0.04   0.04   0.03    -0.00  -0.00  -0.00
    60   6     0.00   0.01   0.01    -0.00  -0.02  -0.03    -0.00   0.00   0.00
    61   6    -0.00  -0.02  -0.02     0.01   0.06   0.06    -0.00  -0.00  -0.00
    62   1    -0.04   0.17   0.01    -0.03   0.14   0.00     0.03  -0.09   0.00
    63   1     0.03  -0.20  -0.01     0.01  -0.14  -0.01     0.00   0.04   0.00
    64   1    -0.15  -0.04  -0.01    -0.13  -0.02  -0.00     0.07   0.00  -0.00
    65   1     0.14   0.19   0.01    -0.04  -0.02   0.00     0.10   0.12   0.00
    66   1     0.15  -0.11  -0.01     0.01  -0.00  -0.00     0.10  -0.05  -0.00
    67   1    -0.16  -0.23  -0.02    -0.01  -0.03  -0.00    -0.07  -0.11  -0.01
    68   1    -0.30   0.09  -0.00    -0.12   0.02   0.00    -0.03  -0.01   0.00
    69   1     0.14  -0.09  -0.00    -0.28   0.12  -0.01     0.00  -0.00  -0.00
    70   1    -0.06  -0.15  -0.01     0.07   0.29   0.01    -0.00  -0.00  -0.00
    71   1    -0.07   0.00   0.00     0.31  -0.00  -0.00     0.01   0.00  -0.00
    72   1    -0.04   0.06  -0.07    -0.02   0.02  -0.03     0.12  -0.15   0.18
    73   1    -0.03  -0.01  -0.00    -0.02  -0.01   0.00     0.10   0.04  -0.01
    74   1    -0.04  -0.02   0.01    -0.01  -0.01   0.00     0.09   0.06  -0.03
    75   1     0.03  -0.04   0.05     0.01  -0.01   0.02    -0.11   0.11  -0.14
    76   1     0.02   0.08  -0.08    -0.00   0.01  -0.01    -0.02  -0.15   0.14
    77   1    -0.06   0.00  -0.02    -0.02  -0.00  -0.00     0.11   0.01   0.03
    78   1    -0.07  -0.01  -0.01    -0.01  -0.00   0.00     0.10   0.03   0.00
    79   1    -0.02  -0.12   0.10    -0.00  -0.02   0.02     0.01   0.19  -0.17
    80   1     0.05   0.03  -0.06     0.04   0.02  -0.05     0.12   0.06  -0.14
    81   1     0.02  -0.02  -0.00     0.02  -0.02   0.00     0.06  -0.06   0.00
    82   1     0.03  -0.03   0.00     0.02  -0.02   0.01     0.05  -0.07   0.02
    83   1    -0.03  -0.02   0.04    -0.03  -0.01   0.04    -0.10  -0.04   0.12
    84   1     0.01   0.07  -0.07     0.01   0.04  -0.04     0.03   0.11  -0.11
    85   1     0.04  -0.02  -0.02     0.03  -0.01  -0.01     0.07  -0.04  -0.02
    86   1     0.05  -0.03  -0.01     0.03  -0.02  -0.01     0.06  -0.05  -0.01
    87   1    -0.02  -0.09   0.10    -0.01  -0.06   0.06    -0.04  -0.13   0.14
    88   1     0.04  -0.03  -0.05    -0.12   0.10   0.16     0.00  -0.00  -0.00
    89   1     0.03   0.02   0.01    -0.09  -0.05  -0.03     0.00   0.00  -0.00
    90   1     0.02   0.02   0.01    -0.05  -0.04  -0.04     0.00   0.00   0.00
    91   1    -0.03   0.02   0.04     0.10  -0.06  -0.12    -0.00   0.00   0.00
    92   1     0.00  -0.02  -0.03    -0.00   0.06   0.08    -0.00  -0.00  -0.00
    93   1     0.02   0.01  -0.00    -0.06  -0.02   0.00     0.00   0.00  -0.00
    94   1     0.01   0.01   0.00    -0.04  -0.02  -0.01     0.00   0.00  -0.00
    95   1     0.00   0.03   0.03     0.00  -0.08  -0.10     0.00   0.00   0.00
    96  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
                    247                    248                    249
                      A                      A                      A
 Frequencies --   1673.7374              1674.6918              1966.5053
 Red. masses --      6.6354                 6.6068                 1.1801
 Frc consts  --     10.9520                10.9172                 2.6888
 IR Inten    --      7.7467                27.1883              2187.7100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.00     0.04  -0.08  -0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.04  -0.00    -0.05   0.12   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02   0.00     0.08  -0.06  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.02  -0.00    -0.04   0.07   0.00     0.00   0.00   0.00
     5   6    -0.02   0.04   0.00     0.07  -0.11  -0.00    -0.00   0.00  -0.00
     6   6     0.03  -0.02  -0.00    -0.10   0.07   0.00     0.00   0.00   0.00
     7   6     0.03   0.02   0.00    -0.08  -0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.03  -0.00     0.05   0.03   0.00    -0.01  -0.01  -0.00
     9   6    -0.05   0.03   0.00     0.01  -0.01  -0.00     0.03   0.03   0.00
    10   6     0.05  -0.00   0.00    -0.00  -0.02  -0.00    -0.01  -0.00  -0.00
    11   6    -0.04  -0.04  -0.00     0.07   0.06   0.00    -0.00  -0.00   0.00
    12   6     0.03   0.03   0.00    -0.06  -0.04  -0.00     0.00   0.01   0.00
    13   6    -0.04  -0.01  -0.00     0.09   0.02   0.00     0.00  -0.00  -0.00
    14   6     0.03   0.03   0.00    -0.09  -0.06  -0.00    -0.00   0.01   0.00
    15   7     0.03  -0.03  -0.00    -0.04   0.01  -0.00    -0.04  -0.10  -0.00
    16   6     0.06   0.01   0.00     0.06  -0.02   0.00    -0.01   0.01   0.00
    17   6    -0.08  -0.03  -0.00    -0.07   0.01  -0.00     0.01   0.00   0.00
    18   7    -0.02   0.00  -0.00     0.03  -0.00   0.00     0.00  -0.00  -0.00
    19   6    -0.16  -0.02  -0.00    -0.08  -0.00  -0.00     0.01   0.00   0.00
    20   6     0.14   0.07   0.00     0.06   0.02   0.00    -0.00  -0.00  -0.00
    21   6    -0.14   0.03   0.00    -0.07   0.02   0.00    -0.00   0.00   0.00
    22   6     0.16  -0.03   0.00     0.09  -0.02   0.00    -0.00   0.00  -0.00
    23   7     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
    24   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   7     0.02  -0.00  -0.01     0.01  -0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00  -0.03   0.03    -0.01   0.07  -0.06     0.00   0.00  -0.00
    27   6     0.01   0.04  -0.03    -0.02  -0.08   0.07    -0.00   0.00  -0.00
    28   6     0.03  -0.03   0.03    -0.06   0.06  -0.07     0.00  -0.00   0.00
    29   6    -0.01   0.03  -0.03     0.03  -0.07   0.07     0.00  -0.00   0.00
    30   6    -0.02  -0.03   0.04     0.05   0.08  -0.10    -0.00  -0.00   0.00
    31   6     0.01   0.05  -0.05    -0.02  -0.11   0.11    -0.00   0.00   0.00
    32   6    -0.05  -0.02   0.05     0.11   0.04  -0.11    -0.00   0.00  -0.00
    33   6     0.03   0.03  -0.05    -0.07  -0.07   0.11     0.00   0.00  -0.00
    34   6    -0.04   0.11   0.15    -0.02   0.05   0.06    -0.00  -0.00  -0.00
    35   6    -0.02  -0.13  -0.15    -0.01  -0.05  -0.06     0.00   0.00  -0.00
    36   6    -0.11   0.08   0.13    -0.05   0.03   0.05     0.00   0.00   0.00
    37   6     0.05  -0.08  -0.12     0.02  -0.03  -0.05    -0.00   0.00   0.00
    38   6    -0.02   0.03  -0.03     0.05  -0.06   0.07    -0.00   0.00  -0.00
    39   6     0.00  -0.02   0.02    -0.01   0.04  -0.04    -0.00  -0.00   0.00
    40   6    -0.02   0.01  -0.01     0.05  -0.02   0.03     0.00  -0.00   0.00
    41   6     0.02  -0.03   0.03    -0.05   0.06  -0.07    -0.00   0.00  -0.00
    42   6     0.00   0.03  -0.03    -0.01  -0.07   0.07    -0.00  -0.00   0.00
    43   6    -0.02  -0.02   0.01     0.03   0.04  -0.03     0.00   0.00  -0.00
    44   6    -0.00   0.01  -0.01     0.01  -0.03   0.03    -0.00  -0.00   0.00
    45   6    -0.00  -0.03   0.03     0.01   0.07  -0.07     0.00  -0.00   0.00
    46   6     0.04   0.02  -0.05    -0.10  -0.05   0.11     0.00   0.00  -0.00
    47   6    -0.01  -0.02   0.03     0.03   0.04  -0.06    -0.00   0.00   0.00
    48   6     0.03  -0.00  -0.02    -0.07   0.01   0.05     0.00  -0.00  -0.00
    49   6    -0.04  -0.02   0.05     0.09   0.05  -0.11    -0.00  -0.00   0.00
    50   6     0.01   0.04  -0.05    -0.03  -0.10   0.10     0.00   0.00  -0.00
    51   6     0.01  -0.03   0.02    -0.02   0.07  -0.04     0.00  -0.00   0.00
    52   6     0.01   0.02  -0.02    -0.03  -0.04   0.05    -0.00   0.00  -0.00
    53   6    -0.01  -0.04   0.05     0.03   0.10  -0.10    -0.00  -0.00   0.00
    54   6     0.09  -0.08  -0.13     0.04  -0.03  -0.05    -0.00   0.00   0.00
    55   6    -0.02   0.05   0.06    -0.01   0.02   0.02     0.00  -0.00  -0.00
    56   6     0.09  -0.01  -0.05     0.04  -0.01  -0.02    -0.00   0.00   0.00
    57   6    -0.09   0.08   0.13    -0.04   0.03   0.05     0.00  -0.00  -0.00
    58   6    -0.00  -0.12  -0.15    -0.00  -0.05  -0.06     0.00   0.00   0.00
    59   6     0.05   0.07   0.07     0.02   0.03   0.03    -0.00  -0.00  -0.00
    60   6     0.03  -0.06  -0.08     0.01  -0.02  -0.03     0.00   0.00   0.00
    61   6     0.01   0.13   0.15     0.00   0.05   0.06     0.00   0.00  -0.00
    62   1    -0.02   0.06   0.00     0.04  -0.16  -0.00     0.00  -0.00  -0.00
    63   1     0.01  -0.04  -0.00    -0.01   0.15   0.01    -0.00  -0.01  -0.00
    64   1    -0.04  -0.01  -0.00     0.15   0.02   0.00    -0.00  -0.00   0.00
    65   1     0.05   0.06   0.00    -0.06  -0.10  -0.00     0.00   0.00  -0.00
    66   1     0.04  -0.03  -0.00    -0.10   0.06   0.00    -0.01  -0.00   0.00
    67   1    -0.04  -0.05  -0.01     0.08   0.13   0.01    -0.02  -0.06  -0.01
    68   1    -0.03   0.03   0.00     0.13  -0.01   0.00     0.45   0.88   0.05
    69   1     0.18  -0.09   0.00     0.09  -0.03   0.00     0.02  -0.02  -0.00
    70   1    -0.07  -0.21  -0.01    -0.02  -0.09  -0.00     0.00   0.00   0.00
    71   1    -0.19   0.01   0.01    -0.12   0.00   0.00     0.00  -0.00  -0.00
    72   1     0.03  -0.04   0.05    -0.07   0.08  -0.10     0.00   0.00   0.00
    73   1     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.00   0.00   0.00
    74   1     0.02   0.02  -0.01    -0.05  -0.03   0.02    -0.00  -0.00   0.00
    75   1    -0.03   0.03  -0.04     0.06  -0.06   0.09     0.00  -0.00   0.00
    76   1    -0.00  -0.04   0.04     0.01   0.09  -0.08    -0.00   0.00  -0.00
    77   1     0.03   0.00   0.01    -0.06  -0.01  -0.02    -0.00   0.00   0.00
    78   1     0.02   0.01  -0.00    -0.05  -0.02  -0.00    -0.00   0.00   0.00
    79   1     0.00   0.05  -0.04    -0.01  -0.10   0.09     0.00  -0.00   0.00
    80   1    -0.06  -0.03   0.07     0.13   0.07  -0.15     0.00  -0.00   0.00
    81   1    -0.03   0.03  -0.00     0.06  -0.06   0.00    -0.00   0.00  -0.00
    82   1    -0.02   0.03  -0.01     0.05  -0.07   0.02    -0.00   0.00  -0.00
    83   1     0.05   0.02  -0.06    -0.12  -0.04   0.13     0.00   0.00  -0.00
    84   1    -0.01  -0.05   0.06     0.03   0.12  -0.12     0.00  -0.00   0.00
    85   1    -0.04   0.02   0.01     0.08  -0.05  -0.02    -0.00  -0.00   0.00
    86   1    -0.03   0.02   0.00     0.06  -0.05  -0.00    -0.00   0.00   0.00
    87   1     0.02   0.06  -0.07    -0.05  -0.14   0.14     0.00   0.00  -0.00
    88   1    -0.11   0.12   0.18    -0.04   0.05   0.07    -0.00  -0.00  -0.00
    89   1    -0.09  -0.03  -0.00    -0.04  -0.01  -0.00     0.00   0.00   0.00
    90   1    -0.10  -0.05  -0.03    -0.04  -0.02  -0.01     0.00   0.00   0.00
    91   1     0.10  -0.09  -0.15     0.04  -0.04  -0.06    -0.00   0.00   0.00
    92   1     0.03   0.14   0.17     0.01   0.06   0.07    -0.00  -0.00  -0.00
    93   1    -0.11  -0.01   0.03    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    94   1    -0.11  -0.03   0.00    -0.05  -0.01   0.00     0.00   0.00  -0.00
    95   1    -0.01  -0.18  -0.21    -0.01  -0.07  -0.08    -0.00   0.00   0.00
    96  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    250                    251                    252
                      A                      A                      A
 Frequencies --   3145.2288              3183.0982              3183.8382
 Red. masses --      1.0962                 1.0857                 1.0858
 Frc consts  --      6.3889                 6.4815                 6.4851
 IR Inten    --    160.9040                 0.2546                 0.6888
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.07   0.06   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    33   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.04   0.02  -0.01
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.02
    40   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.02   0.02
    41   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    42   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    44   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.02  -0.01
    45   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.00  -0.01
    46   6     0.00  -0.00   0.00     0.02  -0.03   0.01    -0.00   0.00  -0.00
    47   6     0.00  -0.00  -0.00    -0.02   0.00   0.01     0.00  -0.00  -0.00
    48   6    -0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    49   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    51   6    -0.00  -0.00   0.00     0.02   0.01  -0.02     0.00   0.00  -0.00
    52   6     0.00  -0.00   0.00     0.01  -0.03   0.02     0.00  -0.00   0.00
    53   6     0.00  -0.00  -0.00    -0.04   0.02   0.01    -0.00   0.00   0.00
    54   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    59   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    63   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    65   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    66   1     0.01   0.04   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    67   1     0.73  -0.67  -0.05     0.00  -0.00  -0.00    -0.00   0.00   0.00
    68   1    -0.01  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    69   1     0.01   0.08   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    70   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    71   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.42  -0.24   0.09
    73   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.38  -0.11   0.23
    74   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.25  -0.25
    75   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.08  -0.05   0.02
    76   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.06   0.01   0.01
    77   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.14  -0.17
    78   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.20  -0.26   0.18
    79   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.43   0.05   0.09
    80   1    -0.00   0.00  -0.00    -0.24   0.31  -0.07     0.00  -0.00   0.00
    81   1    -0.00   0.00   0.00     0.28  -0.04  -0.18    -0.00   0.00   0.00
    82   1    -0.00  -0.00   0.00    -0.06  -0.15   0.18     0.00   0.00  -0.00
    83   1    -0.00   0.00  -0.00    -0.04   0.05  -0.02     0.00  -0.00   0.00
    84   1    -0.00   0.00   0.00     0.09  -0.05  -0.03     0.00  -0.00  -0.00
    85   1     0.00   0.00  -0.00    -0.23  -0.13   0.29    -0.00  -0.00   0.00
    86   1    -0.00   0.00  -0.00    -0.11   0.40  -0.24    -0.00   0.00  -0.00
    87   1    -0.00   0.00   0.00     0.43  -0.25  -0.11     0.00  -0.00  -0.00
    88   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    89   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    90   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    91   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    92   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    93   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    94   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    95   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    96  17    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    253                    254                    255
                      A                      A                      A
 Frequencies --   3184.1197              3184.2126              3184.9574
 Red. masses --      1.0858                 1.0857                 1.0858
 Frc consts  --      6.4861                 6.4856                 6.4892
 IR Inten    --      0.4275                 1.6748                 2.0078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    27   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    36   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.01   0.02
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.02  -0.02
    41   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    43   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.02   0.02
    44   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.02
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01
    46   6    -0.00   0.00  -0.00     0.03  -0.03   0.01    -0.00   0.00  -0.00
    47   6     0.00  -0.00  -0.00    -0.03   0.01   0.02     0.00  -0.00  -0.00
    48   6    -0.00  -0.00   0.00     0.01   0.02  -0.02    -0.00  -0.00   0.00
    49   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    50   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    51   6     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.00   0.00  -0.00
    52   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    53   6    -0.00   0.00   0.00     0.02  -0.01  -0.01    -0.00   0.00   0.00
    54   6     0.03   0.02   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    55   6    -0.02   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    58   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    59   6     0.01  -0.02  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.02   0.03   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    61   6    -0.04  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    63   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    64   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    65   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    66   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    67   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    68   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    69   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    70   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    71   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    72   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.29   0.17  -0.06
    73   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.33   0.10  -0.20
    74   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.25   0.24
    75   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.08   0.05  -0.02
    76   1     0.00   0.00   0.00     0.00   0.00   0.00     0.08   0.01   0.02
    77   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.14   0.20  -0.24
    78   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.26  -0.33   0.23
    79   1     0.00   0.00   0.00     0.00   0.00   0.00     0.47   0.05   0.10
    80   1     0.00  -0.00   0.00    -0.29   0.39  -0.09     0.00  -0.00   0.00
    81   1    -0.00   0.00   0.00     0.41  -0.06  -0.26    -0.00   0.00   0.00
    82   1     0.00   0.00  -0.00    -0.10  -0.26   0.29     0.00   0.00  -0.00
    83   1     0.00  -0.00   0.00    -0.07   0.09  -0.03     0.00  -0.00   0.00
    84   1     0.00  -0.00  -0.00    -0.08   0.05   0.02     0.00  -0.00  -0.00
    85   1    -0.00  -0.00   0.00     0.19   0.11  -0.24    -0.00  -0.00   0.00
    86   1    -0.00   0.00  -0.00     0.08  -0.29   0.18    -0.00   0.00  -0.00
    87   1     0.00  -0.00  -0.00    -0.25   0.15   0.07     0.00  -0.00  -0.00
    88   1    -0.31  -0.18  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.00
    89   1     0.26  -0.05  -0.16     0.00  -0.00  -0.00    -0.01   0.00   0.00
    90   1    -0.00   0.13   0.17    -0.00   0.00   0.00     0.00  -0.00  -0.01
    91   1    -0.05  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    92   1     0.10   0.02  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    93   1    -0.18   0.19   0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
    94   1    -0.26  -0.32  -0.29    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    95   1     0.51   0.08  -0.09     0.00   0.00  -0.00     0.00   0.00  -0.00
    96  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    256                    257                    258
                      A                      A                      A
 Frequencies --   3185.2756              3190.5504              3191.5401
 Red. masses --      1.0858                 1.0946                 1.0898
 Frc consts  --      6.4905                 6.5649                 6.5402
 IR Inten    --      2.5418                59.1882                 9.2628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    15   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    19   6     0.00   0.00   0.00    -0.01  -0.09  -0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   7    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    24   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    37   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    44   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.01
    47   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.03
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    50   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01  -0.01  -0.01
    51   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
    52   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.04   0.02   0.01
    54   6    -0.04  -0.02  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    55   6     0.04  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6    -0.00   0.02   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    59   6     0.01  -0.01  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6     0.01   0.02   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    61   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    62   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    63   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.00
    65   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    67   1    -0.00   0.00   0.00    -0.06   0.06   0.00     0.00  -0.00  -0.00
    68   1     0.00   0.00   0.00     0.00   0.02   0.00    -0.00  -0.00   0.00
    69   1    -0.00  -0.00  -0.00     0.15   0.97   0.03    -0.00  -0.00  -0.00
    70   1     0.01  -0.00   0.00     0.11  -0.09   0.00    -0.00   0.00  -0.00
    71   1     0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    75   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    76   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    77   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   1    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.21   0.27  -0.06
    81   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.07   0.01   0.05
    82   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.11   0.28  -0.32
    83   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.09  -0.12   0.03
    84   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.16   0.10   0.05
    85   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.33   0.19  -0.43
    86   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.02
    87   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.44  -0.26  -0.12
    88   1     0.44   0.25   0.13    -0.01  -0.01  -0.00     0.00   0.00   0.00
    89   1    -0.43   0.09   0.26    -0.00   0.00   0.00    -0.00   0.00   0.00
    90   1     0.00  -0.25  -0.31     0.00  -0.01  -0.01    -0.00   0.00   0.00
    91   1     0.10   0.05   0.03     0.01   0.01   0.01    -0.00  -0.00  -0.00
    92   1     0.08   0.01  -0.02    -0.01  -0.00   0.00     0.00   0.00  -0.00
    93   1    -0.13   0.15   0.23     0.01  -0.01  -0.01    -0.00   0.00   0.00
    94   1    -0.17  -0.21  -0.19    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    95   1     0.27   0.04  -0.05     0.01   0.00  -0.00    -0.00  -0.00   0.00
    96  17    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                    259                    260                    261
                      A                      A                      A
 Frequencies --   3192.7572              3192.7807              3193.0047
 Red. masses --      1.0899                 1.0899                 1.0900
 Frc consts  --      6.5460                 6.5461                 6.5476
 IR Inten    --      8.5952                 7.4698                 5.1789
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    25   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    26   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    34   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    35   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    36   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.00  -0.00   0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00    -0.00  -0.04   0.04    -0.00  -0.00   0.00
    41   6    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    42   6     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.00   0.00
    44   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.03  -0.04   0.01
    47   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.03   0.04
    49   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    50   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    51   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.01  -0.03
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    53   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.02  -0.01
    54   6     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    55   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    56   6    -0.00   0.02   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    57   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    58   6     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    59   6    -0.02   0.03   0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    60   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6    -0.05  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    63   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    64   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    65   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    66   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    67   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    68   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    69   1    -0.00  -0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    70   1     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    71   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    72   1    -0.01  -0.01   0.00     0.49   0.29  -0.11     0.01   0.01  -0.00
    73   1    -0.00   0.00  -0.00     0.04  -0.01   0.03     0.00  -0.00   0.00
    74   1    -0.00  -0.01   0.01     0.01   0.45  -0.44     0.00   0.01  -0.01
    75   1     0.00   0.00  -0.00    -0.18  -0.10   0.05    -0.00  -0.00   0.00
    76   1    -0.00  -0.00  -0.00     0.10   0.01   0.02     0.00   0.00   0.00
    77   1     0.00  -0.00   0.01    -0.15   0.20  -0.24    -0.00   0.01  -0.01
    78   1     0.00   0.00  -0.00    -0.06  -0.08   0.06    -0.00  -0.00   0.00
    79   1     0.01   0.00   0.00    -0.24  -0.03  -0.05    -0.01  -0.00  -0.00
    80   1     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.32   0.42  -0.10
    81   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    82   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01     0.14   0.36  -0.41
    83   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.16   0.04
    84   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.07  -0.04
    85   1     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.23  -0.13   0.29
    86   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.02
    87   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.34   0.20   0.09
    88   1    -0.26  -0.15  -0.08    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    89   1    -0.08   0.02   0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
    90   1     0.00  -0.25  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    91   1     0.12   0.07   0.04     0.00   0.00   0.00     0.00   0.00   0.00
    92   1    -0.18  -0.03   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    93   1     0.26  -0.29  -0.46     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    94   1     0.02   0.03   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    95   1     0.54   0.08  -0.10     0.01   0.00  -0.00     0.00   0.00  -0.00
    96  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    262                    263                    264
                      A                      A                      A
 Frequencies --   3194.2506              3194.4113              3205.9667
 Red. masses --      1.0901                 1.0902                 1.0946
 Frc consts  --      6.5530                 6.5545                 6.6287
 IR Inten    --      4.2853                 6.3931                22.4217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    23   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    27   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    33   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    39   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.00  -0.00   0.00
    41   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    42   6     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00    -0.02   0.03  -0.04     0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    45   6    -0.00  -0.00  -0.00    -0.05  -0.01  -0.01    -0.00  -0.00  -0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    47   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.00   0.02
    48   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    49   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.01  -0.01
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.02
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.05   0.03
    53   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01  -0.01
    54   6    -0.04  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6     0.00  -0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    59   6    -0.01   0.02   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    61   6    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.00   0.00
    63   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
    64   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.07   0.01
    65   1    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    66   1    -0.00  -0.00  -0.00    -0.00  -0.02  -0.00     0.00   0.00   0.00
    67   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    68   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    69   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    70   1    -0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    71   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    72   1     0.00   0.00  -0.00     0.27   0.16  -0.06    -0.00  -0.00   0.00
    73   1    -0.00   0.00  -0.00    -0.03   0.01  -0.02    -0.00   0.00  -0.00
    74   1     0.00   0.00  -0.00     0.00   0.22  -0.22     0.00   0.00  -0.00
    75   1    -0.00  -0.00   0.00    -0.09  -0.05   0.02    -0.00  -0.00   0.00
    76   1    -0.00  -0.00  -0.00    -0.18  -0.02  -0.04     0.00   0.00   0.00
    77   1     0.00  -0.00   0.00     0.27  -0.37   0.45    -0.00   0.00  -0.00
    78   1     0.00   0.00  -0.00     0.05   0.07  -0.05     0.00   0.00  -0.00
    79   1     0.00   0.00   0.00     0.55   0.06   0.11     0.00   0.00   0.00
    80   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.11  -0.14   0.03
    81   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.32  -0.05  -0.20
    82   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.04   0.10  -0.11
    83   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.12  -0.16   0.04
    84   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.17   0.09
    85   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.15   0.08  -0.19
    86   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.16   0.55  -0.33
    87   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.30   0.18   0.08
    88   1     0.46   0.27   0.14    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    89   1     0.03  -0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    90   1    -0.01   0.37   0.47     0.00  -0.00  -0.00     0.00   0.00   0.00
    91   1    -0.18  -0.10  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
    92   1    -0.11  -0.02   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    93   1     0.16  -0.17  -0.28    -0.00   0.00   0.00     0.00  -0.00  -0.00
    94   1    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    95   1     0.36   0.06  -0.06    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    96  17     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                    265                    266                    267
                      A                      A                      A
 Frequencies --   3206.5403              3206.7827              3206.9600
 Red. masses --      1.0946                 1.0949                 1.0948
 Frc consts  --      6.6310                 6.6339                 6.6338
 IR Inten    --     44.3288                41.1738                20.0449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    25   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    35   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    38   6     0.01   0.00  -0.00    -0.03  -0.02   0.01     0.00   0.00  -0.00
    39   6     0.01  -0.00   0.01    -0.05   0.02  -0.03     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00     0.00   0.02  -0.02    -0.00  -0.00   0.00
    41   6     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    42   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    43   6     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    44   6    -0.00  -0.00   0.00     0.01   0.02  -0.01    -0.00  -0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    46   6    -0.02   0.03  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    47   6    -0.05   0.01   0.03    -0.01   0.00   0.01     0.00  -0.00  -0.00
    48   6    -0.00  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6    -0.02   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6    -0.01   0.03  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6    -0.02   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.01
    55   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.04   0.01   0.03
    56   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.01
    58   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00  -0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.02
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.03   0.03
    61   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00  -0.01
    62   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    63   1     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    64   1    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    65   1    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.00   0.00   0.00
    66   1     0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00   0.00   0.00
    67   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    69   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    70   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    71   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.02  -0.00
    72   1    -0.07  -0.04   0.02     0.33   0.19  -0.07    -0.00  -0.00   0.00
    73   1    -0.13   0.04  -0.08     0.58  -0.17   0.35    -0.00   0.00  -0.00
    74   1     0.00   0.04  -0.04    -0.01  -0.21   0.21     0.00   0.00  -0.00
    75   1    -0.06  -0.04   0.02     0.28   0.16  -0.07    -0.00  -0.00   0.00
    76   1     0.01   0.00   0.00    -0.10  -0.01  -0.02     0.00   0.00   0.00
    77   1    -0.01   0.01  -0.01     0.07  -0.09   0.11    -0.00   0.00  -0.00
    78   1     0.01   0.01  -0.01    -0.14  -0.19   0.13     0.00   0.00  -0.00
    79   1     0.00   0.00   0.00    -0.11  -0.01  -0.02     0.00   0.00   0.00
    80   1     0.21  -0.28   0.07     0.04  -0.06   0.01    -0.00   0.00  -0.00
    81   1     0.53  -0.08  -0.34     0.11  -0.02  -0.07    -0.00   0.00   0.00
    82   1     0.05   0.15  -0.17     0.01   0.03  -0.04    -0.00  -0.00   0.00
    83   1     0.21  -0.27   0.08     0.04  -0.05   0.02    -0.00   0.00  -0.00
    84   1     0.16  -0.09  -0.05     0.03  -0.02  -0.01    -0.00   0.00   0.00
    85   1    -0.07  -0.04   0.09    -0.01  -0.01   0.02     0.00   0.00  -0.00
    86   1     0.08  -0.29   0.18     0.02  -0.06   0.03    -0.00   0.00  -0.00
    87   1     0.19  -0.11  -0.05     0.04  -0.02  -0.01    -0.00   0.00   0.00
    88   1     0.01   0.00   0.00     0.01   0.01   0.00     0.24   0.14   0.07
    89   1     0.01  -0.00  -0.01     0.02  -0.00  -0.01     0.47  -0.09  -0.29
    90   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.14  -0.18
    91   1     0.01   0.00   0.00     0.01   0.01   0.00     0.26   0.15   0.09
    92   1     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.21  -0.03   0.04
    93   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.10  -0.11  -0.17
    94   1     0.01   0.01   0.01     0.01   0.01   0.01    -0.27  -0.33  -0.29
    95   1     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.26  -0.04   0.05
    96  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    268                    269                    270
                      A                      A                      A
 Frequencies --   3207.4386              3207.5499              3215.3045
 Red. masses --      1.0949                 1.0951                 1.0933
 Frc consts  --      6.6366                 6.6384                 6.6595
 IR Inten    --    100.7337                22.7224                10.5795
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.05  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    38   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    39   6    -0.00   0.00  -0.00    -0.02   0.01  -0.01    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00   0.00  -0.00
    41   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    42   6    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    43   6     0.01  -0.01   0.01     0.02  -0.02   0.02    -0.00   0.00  -0.00
    44   6    -0.01  -0.01   0.01    -0.03  -0.04   0.03     0.00   0.00  -0.00
    45   6    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01     0.00   0.00   0.00
    46   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.05  -0.03  -0.01
    51   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.01  -0.02
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.01
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    54   6    -0.02  -0.01  -0.01     0.01   0.00   0.00    -0.00  -0.00  -0.00
    55   6    -0.03   0.01   0.02     0.01  -0.00  -0.01    -0.00   0.00   0.00
    56   6     0.00   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6    -0.02  -0.01  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
    58   6    -0.02  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    59   6     0.01  -0.01  -0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    60   6    -0.02  -0.03  -0.03     0.01   0.01   0.01    -0.00  -0.00  -0.00
    61   6    -0.03  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    62   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
    63   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.21  -0.07  -0.01
    64   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.11   0.56   0.04
    65   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    66   1     0.00   0.02   0.00     0.01   0.04   0.00     0.00   0.00   0.00
    67   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    69   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    70   1     0.04  -0.03   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    71   1     0.00   0.02   0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    72   1     0.04   0.02  -0.01     0.14   0.08  -0.03     0.00   0.00  -0.00
    73   1     0.06  -0.02   0.03     0.20  -0.06   0.12     0.00  -0.00   0.00
    74   1    -0.00  -0.02   0.02    -0.00  -0.07   0.06    -0.00  -0.00   0.00
    75   1     0.03   0.02  -0.01     0.11   0.06  -0.03    -0.01  -0.00   0.00
    76   1     0.09   0.01   0.02     0.26   0.03   0.06     0.00   0.00   0.00
    77   1    -0.05   0.07  -0.09    -0.15   0.20  -0.24     0.00  -0.00   0.00
    78   1     0.13   0.17  -0.12     0.35   0.46  -0.32    -0.00  -0.00   0.00
    79   1     0.13   0.01   0.03     0.35   0.04   0.07    -0.00  -0.00  -0.00
    80   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.00
    81   1    -0.01   0.00   0.00     0.03  -0.00  -0.02    -0.04   0.01   0.03
    82   1    -0.00  -0.00   0.00     0.00   0.01  -0.01    -0.02  -0.06   0.06
    83   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.10  -0.13   0.04
    84   1    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.53   0.32   0.16
    85   1     0.00   0.00  -0.00    -0.01  -0.00   0.01    -0.19  -0.11   0.25
    86   1    -0.00   0.01  -0.01     0.01  -0.02   0.01     0.05  -0.18   0.11
    87   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.08  -0.05  -0.02
    88   1     0.23   0.13   0.07    -0.08  -0.05  -0.02     0.00   0.00   0.00
    89   1     0.39  -0.08  -0.24    -0.14   0.03   0.08     0.00  -0.00  -0.00
    90   1    -0.00  -0.11  -0.13     0.00   0.04   0.05     0.00  -0.00  -0.00
    91   1     0.22   0.12   0.08    -0.08  -0.04  -0.03    -0.00  -0.00  -0.00
    92   1     0.22   0.03  -0.05    -0.08  -0.01   0.02     0.00   0.00  -0.00
    93   1    -0.10   0.11   0.17     0.04  -0.04  -0.06    -0.00   0.00   0.00
    94   1     0.28   0.34   0.31    -0.09  -0.12  -0.10     0.00   0.00   0.00
    95   1     0.31   0.05  -0.06    -0.11  -0.02   0.02     0.00   0.00  -0.00
    96  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
                    271                    272                    273
                      A                      A                      A
 Frequencies --   3216.7335              3217.0458              3218.2002
 Red. masses --      1.0949                 1.0952                 1.0946
 Frc consts  --      6.6753                 6.6783                 6.6795
 IR Inten    --     10.3872                12.0818                 9.3320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   7     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    37   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    38   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.00   0.01
    40   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.03   0.03
    41   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.07  -0.04   0.02
    42   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    43   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    44   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6    -0.02   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    48   6    -0.01  -0.02   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6     0.04  -0.06   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    52   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00     0.02  -0.00  -0.01     0.00  -0.00  -0.00
    56   6    -0.00   0.00   0.00     0.00  -0.02  -0.03     0.00  -0.00  -0.00
    57   6     0.00   0.00   0.00    -0.06  -0.03  -0.02    -0.00  -0.00  -0.00
    58   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    62   1    -0.10  -0.03  -0.01    -0.00  -0.00  -0.00    -0.04  -0.01  -0.00
    63   1    -0.06  -0.02  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    64   1     0.03   0.15   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    65   1     0.03  -0.02  -0.00     0.00  -0.00  -0.00     0.08  -0.07  -0.01
    66   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.04  -0.00
    67   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    69   1     0.00   0.00   0.00    -0.01  -0.05  -0.00    -0.00  -0.00  -0.00
    70   1    -0.00   0.00  -0.00     0.23  -0.18   0.00    -0.00   0.00  -0.00
    71   1    -0.00  -0.00  -0.00    -0.00  -0.02  -0.00    -0.00  -0.00   0.00
    72   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.08  -0.05   0.02
    73   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.17   0.05  -0.10
    74   1     0.00   0.02  -0.02     0.00  -0.00   0.00     0.00   0.27  -0.27
    75   1     0.04   0.02  -0.01    -0.00  -0.00   0.00     0.74   0.42  -0.19
    76   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.01  -0.02
    77   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.02
    78   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    79   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    80   1     0.06  -0.08   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1     0.21  -0.03  -0.13     0.00  -0.00  -0.00    -0.01   0.00   0.01
    82   1     0.10   0.26  -0.30     0.00   0.00  -0.00    -0.01  -0.02   0.02
    83   1    -0.50   0.65  -0.18    -0.00   0.00  -0.00     0.04  -0.05   0.01
    84   1    -0.08   0.05   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    85   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   1     0.01  -0.04   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    87   1     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1     0.00   0.00   0.00    -0.09  -0.05  -0.03    -0.00  -0.00  -0.00
    89   1     0.00  -0.00  -0.00    -0.21   0.04   0.13    -0.00   0.00   0.00
    90   1     0.00  -0.00  -0.00    -0.00   0.26   0.33    -0.00   0.00   0.00
    91   1    -0.00  -0.00  -0.00     0.67   0.37   0.23     0.00   0.00   0.00
    92   1     0.00   0.00  -0.00    -0.10  -0.02   0.02    -0.00  -0.00   0.00
    93   1    -0.00   0.00   0.00    -0.02   0.02   0.03     0.00   0.00   0.00
    94   1     0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    95   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    96  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
                    274                    275                    276
                      A                      A                      A
 Frequencies --   3219.1682              3219.5033              3220.8361
 Red. masses --      1.0912                 1.0944                 1.0944
 Frc consts  --      6.6626                 6.6834                 6.6888
 IR Inten    --      2.3705                 8.9476                 8.0057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.06  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    23   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    40   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    41   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.07  -0.01  -0.02
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.02
    44   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    45   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6    -0.04   0.03   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   6    -0.01  -0.01   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    52   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    54   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    55   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00   0.00    -0.08  -0.01   0.02     0.00   0.00  -0.00
    59   6    -0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.00  -0.00
    60   6     0.00   0.00   0.00     0.01   0.01   0.01     0.00   0.00   0.00
    61   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    63   1    -0.32  -0.10  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    64   1     0.14   0.67   0.05    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    65   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
    66   1     0.00   0.00   0.00     0.00   0.00   0.00     0.07   0.38   0.04
    67   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    68   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    69   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    70   1     0.00  -0.00   0.00     0.03  -0.02   0.00     0.00  -0.00   0.00
    71   1     0.00   0.00   0.00     0.02   0.14   0.00     0.00   0.00   0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    73   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.01
    74   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.03  -0.03
    75   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.08   0.04  -0.02
    76   1     0.00   0.00   0.00     0.00   0.00   0.00     0.81   0.09   0.19
    77   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.14  -0.19   0.23
    78   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.08  -0.10   0.07
    79   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.06  -0.01  -0.01
    80   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    82   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    83   1     0.03  -0.03   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    84   1     0.49  -0.29  -0.15    -0.01   0.00   0.00    -0.00   0.00   0.00
    85   1     0.13   0.07  -0.16    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   1    -0.03   0.09  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    87   1    -0.04   0.02   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    88   1     0.00   0.00   0.00    -0.02  -0.01  -0.01     0.00   0.00   0.00
    89   1    -0.00   0.00   0.00    -0.03   0.01   0.02     0.00  -0.00  -0.00
    90   1    -0.00   0.00   0.00    -0.00   0.03   0.04     0.00  -0.00  -0.00
    91   1     0.00   0.00   0.00     0.08   0.04   0.03    -0.00  -0.00  -0.00
    92   1     0.01   0.00  -0.00     0.86   0.14  -0.18    -0.00  -0.00   0.00
    93   1     0.00  -0.00  -0.00     0.15  -0.17  -0.27    -0.00   0.00   0.00
    94   1    -0.00  -0.00  -0.00    -0.10  -0.12  -0.10    -0.00  -0.00  -0.00
    95   1    -0.00  -0.00   0.00    -0.08  -0.01   0.02    -0.00  -0.00   0.00
    96  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    277                    278                    279
                      A                      A                      A
 Frequencies --   3224.5318              3227.9608              3233.4777
 Red. masses --      1.0928                 1.0926                 1.0916
 Frc consts  --      6.6946                 6.7076                 6.7247
 IR Inten    --      1.3630                 2.4876                 0.0781
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.04  -0.03  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.01  -0.08  -0.01    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    15   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.07   0.05  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   7    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    26   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    42   6     0.00   0.00   0.00     0.03   0.00   0.01     0.00   0.00   0.00
    43   6     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
    44   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    48   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    50   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    53   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    59   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    62   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.74   0.22   0.05
    63   1     0.00   0.00   0.00     0.00   0.00   0.00     0.20   0.06   0.01
    64   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.10   0.01
    65   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.43   0.36   0.04
    66   1     0.00   0.01   0.00     0.17   0.89   0.08    -0.00  -0.00  -0.00
    67   1     0.00  -0.00  -0.00    -0.03   0.02   0.00     0.00  -0.00  -0.00
    68   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    69   1    -0.02  -0.12  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    70   1     0.74  -0.58   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    71   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    72   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    75   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.09   0.05  -0.02
    76   1    -0.01  -0.00  -0.00    -0.37  -0.04  -0.09    -0.00  -0.00  -0.00
    77   1    -0.00   0.00  -0.00    -0.04   0.06  -0.07    -0.00   0.00  -0.00
    78   1     0.00   0.00  -0.00     0.02   0.02  -0.01    -0.00  -0.00   0.00
    79   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    80   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    81   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    82   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
    83   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.08  -0.02
    84   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    85   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    86   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    87   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    89   1     0.03  -0.01  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    90   1     0.00  -0.06  -0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
    91   1    -0.25  -0.14  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    92   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    93   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    94   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    95   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    96  17    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                    280                    281                    282
                      A                      A                      A
 Frequencies --   3235.5837              3236.3102              3251.4624
 Red. masses --      1.0939                 1.0924                 1.0878
 Frc consts  --      6.7476                 6.7408                 6.7759
 IR Inten    --      2.3765                 5.1510                 8.0489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.05  -0.01  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.07  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.05   0.04   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.01  -0.09  -0.00    -0.00   0.00   0.00
    23   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    24   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   7     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    27   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    42   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    44   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    47   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    50   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    51   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    53   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    56   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    59   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    62   1    -0.16  -0.05  -0.01     0.00   0.00   0.00     0.57   0.18   0.04
    63   1     0.84   0.27   0.03     0.00   0.00   0.00    -0.02  -0.01  -0.00
    64   1     0.07   0.38   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    65   1     0.12  -0.10  -0.01     0.00  -0.00  -0.00     0.61  -0.51  -0.06
    66   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    67   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    68   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    69   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    70   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    71   1    -0.00  -0.00  -0.00     0.13   0.98   0.02    -0.00  -0.00  -0.00
    72   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    74   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    75   1    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    76   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    77   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    79   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    80   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    82   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    83   1     0.01  -0.02   0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.01
    84   1     0.04  -0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    85   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    89   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    90   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    91   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    92   1     0.00   0.00  -0.00    -0.14  -0.02   0.03    -0.00  -0.00   0.00
    93   1    -0.00   0.00   0.00    -0.01   0.01   0.02     0.00  -0.00  -0.00
    94   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    95   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    96  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  7 and mass  14.00307
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  7 and mass  14.00307
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  7 and mass  14.00307
 Atom    24 has atomic number  7 and mass  14.00307
 Atom    25 has atomic number  7 and mass  14.00307
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  6 and mass  12.00000
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  6 and mass  12.00000
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  6 and mass  12.00000
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  6 and mass  12.00000
 Atom    40 has atomic number  6 and mass  12.00000
 Atom    41 has atomic number  6 and mass  12.00000
 Atom    42 has atomic number  6 and mass  12.00000
 Atom    43 has atomic number  6 and mass  12.00000
 Atom    44 has atomic number  6 and mass  12.00000
 Atom    45 has atomic number  6 and mass  12.00000
 Atom    46 has atomic number  6 and mass  12.00000
 Atom    47 has atomic number  6 and mass  12.00000
 Atom    48 has atomic number  6 and mass  12.00000
 Atom    49 has atomic number  6 and mass  12.00000
 Atom    50 has atomic number  6 and mass  12.00000
 Atom    51 has atomic number  6 and mass  12.00000
 Atom    52 has atomic number  6 and mass  12.00000
 Atom    53 has atomic number  6 and mass  12.00000
 Atom    54 has atomic number  6 and mass  12.00000
 Atom    55 has atomic number  6 and mass  12.00000
 Atom    56 has atomic number  6 and mass  12.00000
 Atom    57 has atomic number  6 and mass  12.00000
 Atom    58 has atomic number  6 and mass  12.00000
 Atom    59 has atomic number  6 and mass  12.00000
 Atom    60 has atomic number  6 and mass  12.00000
 Atom    61 has atomic number  6 and mass  12.00000
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Atom    64 has atomic number  1 and mass   1.00783
 Atom    65 has atomic number  1 and mass   1.00783
 Atom    66 has atomic number  1 and mass   1.00783
 Atom    67 has atomic number  1 and mass   1.00783
 Atom    68 has atomic number  1 and mass   1.00783
 Atom    69 has atomic number  1 and mass   1.00783
 Atom    70 has atomic number  1 and mass   1.00783
 Atom    71 has atomic number  1 and mass   1.00783
 Atom    72 has atomic number  1 and mass   1.00783
 Atom    73 has atomic number  1 and mass   1.00783
 Atom    74 has atomic number  1 and mass   1.00783
 Atom    75 has atomic number  1 and mass   1.00783
 Atom    76 has atomic number  1 and mass   1.00783
 Atom    77 has atomic number  1 and mass   1.00783
 Atom    78 has atomic number  1 and mass   1.00783
 Atom    79 has atomic number  1 and mass   1.00783
 Atom    80 has atomic number  1 and mass   1.00783
 Atom    81 has atomic number  1 and mass   1.00783
 Atom    82 has atomic number  1 and mass   1.00783
 Atom    83 has atomic number  1 and mass   1.00783
 Atom    84 has atomic number  1 and mass   1.00783
 Atom    85 has atomic number  1 and mass   1.00783
 Atom    86 has atomic number  1 and mass   1.00783
 Atom    87 has atomic number  1 and mass   1.00783
 Atom    88 has atomic number  1 and mass   1.00783
 Atom    89 has atomic number  1 and mass   1.00783
 Atom    90 has atomic number  1 and mass   1.00783
 Atom    91 has atomic number  1 and mass   1.00783
 Atom    92 has atomic number  1 and mass   1.00783
 Atom    93 has atomic number  1 and mass   1.00783
 Atom    94 has atomic number  1 and mass   1.00783
 Atom    95 has atomic number  1 and mass   1.00783
 Atom    96 has atomic number 17 and mass  34.96885
 Molecular mass:   811.25027 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  ******************************
           X            1.00000   0.00158  -0.00053
           Y           -0.00158   1.00000  -0.00201
           Z            0.00053   0.00201   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00222     0.00091     0.00070
 Rotational constants (GHZ):           0.04633     0.01891     0.01454
 Zero-point vibrational energy    1957899.8 (Joules/Mol)
                                  467.94928 (Kcal/Mol)
 Warning -- explicit consideration of  77 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     10.05    17.93    21.82    23.16    30.77
          (Kelvin)             30.78    34.87    46.71    53.89    59.69
                              111.11   116.99   120.25   135.47   147.41
                              156.11   158.40   162.25   166.34   175.51
                              192.92   201.99   216.62   219.17   223.69
                              224.57   268.99   297.11   306.59   329.50
                              339.13   353.99   363.34   378.90   413.39
                              423.01   424.09   424.33   434.28   438.46
                              467.34   498.08   520.35   562.24   568.67
                              571.93   617.78   620.00   625.39   625.87
                              626.44   626.88   630.23   639.98   651.61
                              659.98   661.67   662.71   664.77   685.20
                              709.46   718.80   746.03   767.33   767.51
                              768.06   824.43   825.30   826.75   837.24
                              837.46   838.13   841.67   851.82   873.40
                              879.72   885.14   902.90   904.40   907.93
                              910.24   911.77   935.42   965.38   972.98
                              988.05   989.74  1005.92  1035.61  1038.50
                             1047.35  1063.39  1063.68  1065.22  1069.30
                             1074.24  1087.16  1087.68  1088.19  1094.64
                             1099.38  1100.69  1101.60  1102.09  1109.68
                             1123.08  1135.20  1135.47  1135.58  1146.05
                             1166.50  1235.22  1239.38  1241.16  1243.87
                             1246.27  1247.70  1250.19  1256.76  1258.33
                             1261.10  1265.30  1293.09  1294.95  1305.35
                             1343.65  1343.97  1346.17  1349.51  1351.34
                             1351.53  1353.11  1354.32  1354.75  1378.69
                             1404.56  1406.25  1406.77  1407.38  1409.11
                             1409.44  1412.18  1440.71  1441.07  1446.41
                             1460.28  1468.39  1469.48  1469.75  1471.08
                             1509.88  1511.20  1511.79  1520.22  1521.89
                             1522.11  1530.52  1536.15  1554.35  1618.71
                             1625.83  1629.80  1652.62  1653.50  1653.58
                             1657.71  1686.48  1692.18  1699.57  1701.51
                             1703.47  1710.35  1710.99  1711.05  1720.51
                             1731.81  1739.34  1787.26  1795.80  1797.83
                             1801.26  1805.11  1810.55  1819.66  1822.70
                             1825.89  1851.09  1874.20  1900.52  1906.96
                             1921.89  1928.40  1929.88  1935.93  1936.48
                             1938.88  1947.70  1965.15  1971.89  1977.22
                             1990.30  1992.37  1994.97  1997.79  1999.50
                             2000.78  2016.31  2025.68  2029.13  2084.42
                             2099.77  2108.14  2122.03  2135.34  2136.91
                             2143.42  2148.36  2154.95  2157.59  2161.98
                             2185.30  2185.95  2187.27  2194.27  2202.89
                             2204.94  2207.32  2216.36  2245.61  2277.24
                             2301.90  2323.13  2345.51  2346.32  2346.43
                             2346.85  2348.99  2350.71  2353.60  2373.85
                             2375.51  2376.10  2379.17  2389.90  2392.42
                             2406.24  2408.13  2409.51  2829.36  4525.28
                             4579.77  4580.83  4581.24  4581.37  4582.44
                             4582.90  4590.49  4591.91  4593.67  4593.70
                             4594.02  4595.81  4596.05  4612.67  4613.50
                             4613.85  4614.10  4614.79  4614.95  4626.11
                             4628.16  4628.61  4630.27  4631.67  4632.15
                             4634.06  4639.38  4644.32  4652.25  4655.28
                             4656.33  4678.13
 
 Zero-point correction=                           0.745725 (Hartree/Particle)
 Thermal correction to Energy=                    0.790743
 Thermal correction to Enthalpy=                  0.791687
 Thermal correction to Gibbs Free Energy=         0.662601
 Sum of electronic and zero-point Energies=          -2887.842216
 Sum of electronic and thermal Energies=             -2887.797197
 Sum of electronic and thermal Enthalpies=           -2887.796253
 Sum of electronic and thermal Free Energies=        -2887.925339
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  496.199            186.254            271.685
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             45.958
 Rotational               0.889              2.981             41.352
 Vibrational            494.421            180.293            184.375
 Vibration     1          0.593              1.987              8.724
 Vibration     2          0.593              1.987              7.574
 Vibration     3          0.593              1.986              7.183
 Vibration     4          0.593              1.986              7.066
 Vibration     5          0.593              1.985              6.501
 Vibration     6          0.593              1.985              6.501
 Vibration     7          0.593              1.985              6.253
 Vibration     8          0.594              1.983              5.673
 Vibration     9          0.594              1.982              5.389
 Vibration    10          0.594              1.981              5.187
 Vibration    11          0.599              1.964              3.960
 Vibration    12          0.600              1.962              3.859
 Vibration    13          0.600              1.960              3.805
 Vibration    14          0.603              1.953              3.572
 Vibration    15          0.605              1.947              3.407
 Vibration    16          0.606              1.942              3.296
 Vibration    17          0.606              1.941              3.267
 Vibration    18          0.607              1.939              3.221
 Vibration    19          0.608              1.936              3.172
 Vibration    20          0.609              1.931              3.069
 Vibration    21          0.613              1.919              2.887
 Vibration    22          0.615              1.913              2.799
 Vibration    23          0.618              1.902              2.665
 Vibration    24          0.619              1.900              2.643
 Vibration    25          0.620              1.897              2.604
 Vibration    26          0.620              1.896              2.597
 Vibration    27          0.632              1.858              2.258
 Vibration    28          0.641              1.831              2.074
 Vibration    29          0.644              1.821              2.017
 Vibration    30          0.652              1.797              1.887
 Vibration    31          0.655              1.786              1.835
 Vibration    32          0.661              1.769              1.759
 Vibration    33          0.664              1.759              1.713
 Vibration    34          0.670              1.740              1.639
 Vibration    35          0.684              1.697              1.490
 Vibration    36          0.689              1.685              1.451
 Vibration    37          0.689              1.684              1.446
 Vibration    38          0.689              1.683              1.446
 Vibration    39          0.694              1.670              1.407
 Vibration    40          0.696              1.665              1.391
 Vibration    41          0.709              1.626              1.286
 Vibration    42          0.724              1.583              1.184
 Vibration    43          0.736              1.551              1.115
 Vibration    44          0.758              1.490              0.997
 Vibration    45          0.762              1.480              0.980
 Vibration    46          0.764              1.475              0.972
 Vibration    47          0.791              1.406              0.861
 Vibration    48          0.792              1.403              0.856
 Vibration    49          0.795              1.395              0.844
 Vibration    50          0.796              1.394              0.842
 Vibration    51          0.796              1.393              0.841
 Vibration    52          0.796              1.392              0.840
 Vibration    53          0.798              1.387              0.833
 Vibration    54          0.804              1.372              0.812
 Vibration    55          0.811              1.355              0.787
 Vibration    56          0.817              1.342              0.770
 Vibration    57          0.818              1.339              0.766
 Vibration    58          0.818              1.337              0.764
 Vibration    59          0.820              1.334              0.760
 Vibration    60          0.833              1.303              0.720
 Vibration    61          0.849              1.265              0.676
 Vibration    62          0.855              1.251              0.659
 Vibration    63          0.874              1.209              0.613
 Vibration    64          0.888              1.176              0.580
 Vibration    65          0.888              1.176              0.580
 Vibration    66          0.889              1.175              0.579
 Vibration    67          0.929              1.090              0.498
 Vibration    68          0.930              1.088              0.497
 Vibration    69          0.931              1.086              0.495
 Vibration    70          0.939              1.070              0.482
 Vibration    71          0.939              1.070              0.482
 Vibration    72          0.939              1.069              0.481
 Vibration    73          0.942              1.064              0.476
 Vibration    74          0.950              1.049              0.464
 Vibration    75          0.966              1.017              0.438
 Vibration    76          0.971              1.008              0.430
 Vibration    77          0.975              1.000              0.424
                       Q            Log10(Q)             Ln(Q)
 Total Bot                          -304.774998       -701.770367
 Total V=0                            38.234227         88.037561
 Vib (Bot)                          -322.119057       -741.706539
 Vib (Bot)    1  0.296728D+02          1.472359          3.390232
 Vib (Bot)    2  0.166293D+02          1.220874          2.811167
 Vib (Bot)    3  0.136593D+02          1.135429          2.614422
 Vib (Bot)    4  0.128713D+02          1.109624          2.555004
 Vib (Bot)    5  0.968541D+01          0.986118          2.270621
 Vib (Bot)    6  0.968279D+01          0.986000          2.270350
 Vib (Bot)    7  0.854608D+01          0.931767          2.145472
 Vib (Bot)    8  0.637603D+01          0.804550          1.852545
 Vib (Bot)    9  0.552540D+01          0.742364          1.709355
 Vib (Bot)   10  0.498644D+01          0.697791          1.606723
 Vib (Bot)   11  0.266798D+01          0.426183          0.981323
 Vib (Bot)   12  0.253229D+01          0.403513          0.929123
 Vib (Bot)   13  0.246271D+01          0.391414          0.901263
 Vib (Bot)   14  0.218205D+01          0.338864          0.780263
 Vib (Bot)   15  0.200219D+01          0.301505          0.694240
 Vib (Bot)   16  0.188828D+01          0.276065          0.635664
 Vib (Bot)   17  0.186034D+01          0.269592          0.620759
 Vib (Bot)   18  0.181506D+01          0.258891          0.596118
 Vib (Bot)   19  0.176937D+01          0.247818          0.570622
 Vib (Bot)   20  0.167443D+01          0.223868          0.515475
 Vib (Bot)   21  0.151882D+01          0.181505          0.417932
 Vib (Bot)   22  0.144821D+01          0.160832          0.370329
 Vib (Bot)   23  0.134653D+01          0.129217          0.297532
 Vib (Bot)   24  0.133019D+01          0.123912          0.285318
 Vib (Bot)   25  0.130212D+01          0.114652          0.263995
 Vib (Bot)   26  0.129676D+01          0.112861          0.259873
 Vib (Bot)   27  0.107167D+01          0.030062          0.069220
 Vib (Bot)   28  0.963137D+00         -0.016312         -0.037559
 Vib (Bot)   29  0.930911D+00         -0.031092         -0.071592
 Vib (Bot)   30  0.860402D+00         -0.065298         -0.150355
 Vib (Bot)   31  0.833506D+00         -0.079091         -0.182114
 Vib (Bot)   32  0.794749D+00         -0.099770         -0.229729
 Vib (Bot)   33  0.771923D+00         -0.112426         -0.258870
 Vib (Bot)   34  0.736330D+00         -0.132927         -0.306077
 Vib (Bot)   35  0.666543D+00         -0.176172         -0.405650
 Vib (Bot)   36  0.649002D+00         -0.187754         -0.432319
 Vib (Bot)   37  0.647083D+00         -0.189040         -0.435280
 Vib (Bot)   38  0.646664D+00         -0.189321         -0.435929
 Vib (Bot)   39  0.629396D+00         -0.201076         -0.462995
 Vib (Bot)   40  0.622371D+00         -0.205951         -0.474219
 Vib (Bot)   41  0.577051D+00         -0.238786         -0.549825
 Vib (Bot)   42  0.534271D+00         -0.272239         -0.626853
 Vib (Bot)   43  0.506235D+00         -0.295648         -0.680755
 Vib (Bot)   44  0.459164D+00         -0.338032         -0.778348
 Vib (Bot)   45  0.452518D+00         -0.344364         -0.792928
 Vib (Bot)   46  0.449191D+00         -0.347569         -0.800307
 Vib (Bot)   47  0.405985D+00         -0.391490         -0.901438
 Vib (Bot)   48  0.404049D+00         -0.393566         -0.906218
 Vib (Bot)   49  0.399391D+00         -0.398602         -0.917815
 Vib (Bot)   50  0.398977D+00         -0.399052         -0.918851
 Vib (Bot)   51  0.398496D+00         -0.399577         -0.920059
 Vib (Bot)   52  0.398118D+00         -0.399988         -0.921006
 Vib (Bot)   53  0.395274D+00         -0.403101         -0.928175
 Vib (Bot)   54  0.387154D+00         -0.412117         -0.948933
 Vib (Bot)   55  0.377762D+00         -0.422782         -0.973491
 Vib (Bot)   56  0.371193D+00         -0.430400         -0.991034
 Vib (Bot)   57  0.369885D+00         -0.431933         -0.994563
 Vib (Bot)   58  0.369082D+00         -0.432878         -0.996738
 Vib (Bot)   59  0.367507D+00         -0.434734         -1.001013
 Vib (Bot)   60  0.352311D+00         -0.453074         -1.043241
 Vib (Bot)   61  0.335344D+00         -0.474509         -1.092597
 Vib (Bot)   62  0.329095D+00         -0.482679         -1.111409
 Vib (Bot)   63  0.311721D+00         -0.506234         -1.165646
 Vib (Bot)   64  0.298943D+00         -0.524412         -1.207503
 Vib (Bot)   65  0.298840D+00         -0.524561         -1.207846
 Vib (Bot)   66  0.298521D+00         -0.525025         -1.208914
 Vib (Bot)   67  0.267792D+00         -0.572202         -1.317544
 Vib (Bot)   68  0.267350D+00         -0.572920         -1.319198
 Vib (Bot)   69  0.266612D+00         -0.574120         -1.321959
 Vib (Bot)   70  0.261365D+00         -0.582752         -1.341837
 Vib (Bot)   71  0.261252D+00         -0.582940         -1.342268
 Vib (Bot)   72  0.260923D+00         -0.583488         -1.343532
 Vib (Bot)   73  0.259183D+00         -0.586393         -1.350220
 Vib (Bot)   74  0.254271D+00         -0.594703         -1.369354
 Vib (Bot)   75  0.244193D+00         -0.612268         -1.409798
 Vib (Bot)   76  0.241333D+00         -0.617383         -1.421578
 Vib (Bot)   77  0.238911D+00         -0.621763         -1.431663
 Vib (V=0)                            20.890168         48.101388
 Vib (V=0)    1  0.301771D+02          1.479677          3.407082
 Vib (V=0)    2  0.171368D+02          1.233930          2.841230
 Vib (V=0)    3  0.141685D+02          1.151323          2.651019
 Vib (V=0)    4  0.133811D+02          1.126490          2.593840
 Vib (V=0)    5  0.101983D+02          1.008528          2.322222
 Vib (V=0)    6  0.101957D+02          1.008417          2.321965
 Vib (V=0)    7  0.906069D+01          0.957161          2.203945
 Vib (V=0)    8  0.689560D+01          0.838572          1.930884
 Vib (V=0)    9  0.604798D+01          0.781610          1.799724
 Vib (V=0)   10  0.551145D+01          0.741266          1.706828
 Vib (V=0)   11  0.321443D+01          0.507104          1.167651
 Vib (V=0)   12  0.308118D+01          0.488717          1.125312
 Vib (V=0)   13  0.301296D+01          0.478993          1.102922
 Vib (V=0)   14  0.273860D+01          0.437529          1.007447
 Vib (V=0)   15  0.256367D+01          0.408863          0.941442
 Vib (V=0)   16  0.245335D+01          0.389760          0.897455
 Vib (V=0)   17  0.242636D+01          0.384955          0.886392
 Vib (V=0)   18  0.238267D+01          0.377064          0.868221
 Vib (V=0)   19  0.233866D+01          0.368967          0.849577
 Vib (V=0)   20  0.224749D+01          0.351698          0.809815
 Vib (V=0)   21  0.209900D+01          0.322013          0.741462
 Vib (V=0)   22  0.203210D+01          0.307944          0.709067
 Vib (V=0)   23  0.193637D+01          0.286988          0.660813
 Vib (V=0)   24  0.192105D+01          0.283539          0.652874
 Vib (V=0)   25  0.189482D+01          0.277568          0.639124
 Vib (V=0)   26  0.188982D+01          0.276420          0.636482
 Vib (V=0)   27  0.168257D+01          0.225974          0.520325
 Vib (V=0)   28  0.158519D+01          0.200081          0.460703
 Vib (V=0)   29  0.155669D+01          0.192202          0.442562
 Vib (V=0)   30  0.149513D+01          0.174680          0.402216
 Vib (V=0)   31  0.147197D+01          0.167900          0.386604
 Vib (V=0)   32  0.143895D+01          0.158045          0.363913
 Vib (V=0)   33  0.141971D+01          0.152199          0.350452
 Vib (V=0)   34  0.139005D+01          0.143029          0.329337
 Vib (V=0)   35  0.133323D+01          0.124907          0.287608
 Vib (V=0)   36  0.131927D+01          0.120334          0.277079
 Vib (V=0)   37  0.131775D+01          0.119833          0.275927
 Vib (V=0)   38  0.131742D+01          0.119724          0.275675
 Vib (V=0)   39  0.130383D+01          0.115220          0.265304
 Vib (V=0)   40  0.129834D+01          0.113388          0.261086
 Vib (V=0)   41  0.126354D+01          0.101588          0.233915
 Vib (V=0)   42  0.123174D+01          0.090519          0.208429
 Vib (V=0)   43  0.121153D+01          0.083334          0.191883
 Vib (V=0)   44  0.117885D+01          0.071457          0.164536
 Vib (V=0)   45  0.117437D+01          0.069804          0.160730
 Vib (V=0)   46  0.117214D+01          0.068980          0.158831
 Vib (V=0)   47  0.114407D+01          0.058452          0.134591
 Vib (V=0)   48  0.114285D+01          0.057989          0.133525
 Vib (V=0)   49  0.113993D+01          0.056879          0.130969
 Vib (V=0)   50  0.113967D+01          0.056781          0.130742
 Vib (V=0)   51  0.113937D+01          0.056666          0.130479
 Vib (V=0)   52  0.113914D+01          0.056577          0.130272
 Vib (V=0)   53  0.113737D+01          0.055902          0.128720
 Vib (V=0)   54  0.113237D+01          0.053987          0.124310
 Vib (V=0)   55  0.112666D+01          0.051793          0.119258
 Vib (V=0)   56  0.112272D+01          0.050273          0.115757
 Vib (V=0)   57  0.112194D+01          0.049971          0.115063
 Vib (V=0)   58  0.112147D+01          0.049786          0.114638
 Vib (V=0)   59  0.112053D+01          0.049425          0.113805
 Vib (V=0)   60  0.111166D+01          0.045970          0.105851
 Vib (V=0)   61  0.110204D+01          0.042199          0.097166
 Vib (V=0)   62  0.109858D+01          0.040833          0.094023
 Vib (V=0)   63  0.108921D+01          0.037112          0.085454
 Vib (V=0)   64  0.108255D+01          0.034449          0.079321
 Vib (V=0)   65  0.108250D+01          0.034428          0.079273
 Vib (V=0)   66  0.108234D+01          0.034362          0.079121
 Vib (V=0)   67  0.106720D+01          0.028245          0.065036
 Vib (V=0)   68  0.106699D+01          0.028160          0.064840
 Vib (V=0)   69  0.106664D+01          0.028018          0.064515
 Vib (V=0)   70  0.106419D+01          0.027020          0.062215
 Vib (V=0)   71  0.106414D+01          0.026998          0.062166
 Vib (V=0)   72  0.106399D+01          0.026936          0.062023
 Vib (V=0)   73  0.106318D+01          0.026608          0.061268
 Vib (V=0)   74  0.106094D+01          0.025691          0.059155
 Vib (V=0)   75  0.105644D+01          0.023847          0.054909
 Vib (V=0)   76  0.105520D+01          0.023333          0.053726
 Vib (V=0)   77  0.105415D+01          0.022901          0.052732
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.908210D+09          8.958186         20.626986
 Rotational      0.243149D+09          8.385873         19.309186
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009735    0.000002370    0.000000450
      2        6          -0.000000603   -0.000000893   -0.000000531
      3        6           0.000001747    0.000011101    0.000001513
      4        6          -0.000008305   -0.000000589    0.000001354
      5        6           0.000001066    0.000000144   -0.000000402
      6        6           0.000003375    0.000001401   -0.000001218
      7        6           0.000007557   -0.000009466   -0.000001561
      8        6          -0.000009953    0.000005263   -0.000002756
      9        6           0.000003901    0.000007710    0.000005932
     10        6           0.000004290   -0.000003779    0.000001221
     11        6          -0.000001116    0.000000395    0.000000542
     12        6          -0.000014829   -0.000006289   -0.000003137
     13        6           0.000005400    0.000000206    0.000003021
     14        6          -0.000002637   -0.000004373   -0.000001474
     15        7          -0.000001027   -0.000017719   -0.000011104
     16        6           0.000000254    0.000004318    0.000000756
     17        6          -0.000001645    0.000005421    0.000001835
     18        7           0.000002725   -0.000000223   -0.000000058
     19        6           0.000002549   -0.000002495   -0.000001594
     20        6           0.000000756    0.000005494   -0.000000818
     21        6           0.000012165   -0.000003578    0.000002533
     22        6          -0.000006868   -0.000001825    0.000000241
     23        7           0.000008605   -0.000004507    0.000001400
     24        7           0.000014581    0.000008531    0.000005890
     25        7          -0.000009234    0.000000034   -0.000006729
     26        6           0.000001428   -0.000001826   -0.000000961
     27        6          -0.000003295    0.000002008    0.000002315
     28        6           0.000001639   -0.000004705   -0.000002398
     29        6          -0.000005159    0.000001672   -0.000003904
     30        6           0.000001165    0.000001223   -0.000001199
     31        6          -0.000003967   -0.000004017   -0.000001675
     32        6           0.000001599    0.000005213    0.000002100
     33        6          -0.000001040   -0.000002206    0.000000355
     34        6          -0.000000315   -0.000001398    0.000003817
     35        6           0.000004847   -0.000005279    0.000001993
     36        6          -0.000000814    0.000006412   -0.000000919
     37        6          -0.000001464   -0.000002193    0.000001221
     38        6          -0.000001205    0.000002132    0.000001181
     39        6          -0.000000710   -0.000001149   -0.000000457
     40        6          -0.000000880    0.000000655    0.000000258
     41        6           0.000000758    0.000000931    0.000000194
     42        6          -0.000000156   -0.000000491    0.000002302
     43        6           0.000000996    0.000000147   -0.000001309
     44        6          -0.000001688   -0.000000217    0.000000627
     45        6           0.000001259   -0.000001686   -0.000001547
     46        6          -0.000001451   -0.000002401   -0.000000774
     47        6          -0.000001408    0.000001389    0.000000312
     48        6           0.000000200   -0.000000448   -0.000000584
     49        6           0.000000313   -0.000000459    0.000000173
     50        6           0.000000852    0.000000676   -0.000001043
     51        6           0.000000510   -0.000000093    0.000000910
     52        6          -0.000001764    0.000000526   -0.000000368
     53        6           0.000001306    0.000002480    0.000000971
     54        6           0.000001108   -0.000002320    0.000000965
     55        6           0.000000957    0.000001241   -0.000000618
     56        6          -0.000000492   -0.000000636    0.000000771
     57        6           0.000000075   -0.000000354   -0.000001284
     58        6          -0.000001100    0.000001002   -0.000000295
     59        6          -0.000000498    0.000000125   -0.000000546
     60        6           0.000001614    0.000000509    0.000000274
     61        6          -0.000001787    0.000002901   -0.000001153
     62        1          -0.000000332   -0.000001212   -0.000001430
     63        1          -0.000000514    0.000000209    0.000000311
     64        1           0.000000327   -0.000000504    0.000000123
     65        1           0.000000063    0.000001068    0.000002129
     66        1           0.000000673    0.000000149   -0.000001053
     67        1           0.000000448   -0.000000339    0.000000033
     68        1           0.000000985    0.000008019    0.000003884
     69        1          -0.000001176    0.000000027    0.000000474
     70        1          -0.000000184   -0.000000667    0.000000082
     71        1           0.000001446   -0.000000016   -0.000000268
     72        1           0.000000465   -0.000000241   -0.000000230
     73        1           0.000000016    0.000000484    0.000000547
     74        1           0.000000470   -0.000000234   -0.000000433
     75        1          -0.000000128   -0.000000093   -0.000000329
     76        1          -0.000000026   -0.000000845   -0.000000558
     77        1          -0.000000138    0.000000518    0.000000560
     78        1           0.000000546   -0.000000271   -0.000000678
     79        1          -0.000000078    0.000000607    0.000000142
     80        1           0.000000495    0.000000567   -0.000000153
     81        1           0.000000240   -0.000000621   -0.000000211
     82        1           0.000000538    0.000000059    0.000000290
     83        1           0.000000027   -0.000000361    0.000000169
     84        1          -0.000000814    0.000000595   -0.000000190
     85        1          -0.000000001   -0.000000370   -0.000000259
     86        1           0.000000536    0.000000188    0.000000405
     87        1          -0.000000247   -0.000000582    0.000000195
     88        1          -0.000000280    0.000000493   -0.000000041
     89        1           0.000000006   -0.000000498    0.000000394
     90        1          -0.000000435    0.000000363   -0.000000364
     91        1           0.000000150    0.000000004    0.000000006
     92        1           0.000000509    0.000000268    0.000000427
     93        1          -0.000000034   -0.000000467    0.000000221
     94        1          -0.000000453    0.000000130   -0.000000250
     95        1           0.000000320   -0.000000716   -0.000000042
     96       17           0.000002125   -0.000001736    0.000001089
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017719 RMS     0.000003177
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000010514 RMS     0.000001353
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00179   0.00401   0.00415   0.00430   0.00461
     Eigenvalues ---    0.00738   0.00890   0.00936   0.00966   0.01008
     Eigenvalues ---    0.01191   0.01206   0.01223   0.01390   0.01392
     Eigenvalues ---    0.01393   0.01500   0.01541   0.01571   0.01626
     Eigenvalues ---    0.01630   0.01636   0.01641   0.01655   0.01668
     Eigenvalues ---    0.01672   0.01673   0.01696   0.01724   0.01731
     Eigenvalues ---    0.01749   0.01774   0.01787   0.01833   0.01861
     Eigenvalues ---    0.01866   0.01875   0.01895   0.01940   0.01941
     Eigenvalues ---    0.01944   0.01957   0.01967   0.02011   0.02030
     Eigenvalues ---    0.02034   0.02055   0.02088   0.02092   0.02097
     Eigenvalues ---    0.02099   0.02114   0.02197   0.02211   0.02231
     Eigenvalues ---    0.02285   0.02342   0.02346   0.02362   0.02384
     Eigenvalues ---    0.02402   0.02407   0.02412   0.02419   0.02430
     Eigenvalues ---    0.02481   0.02506   0.02523   0.02579   0.02612
     Eigenvalues ---    0.02671   0.02696   0.02756   0.02757   0.02758
     Eigenvalues ---    0.02764   0.02766   0.02773   0.02781   0.02814
     Eigenvalues ---    0.02860   0.02863   0.02865   0.02873   0.02885
     Eigenvalues ---    0.02894   0.02946   0.02950   0.02951   0.03008
     Eigenvalues ---    0.03063   0.03068   0.03084   0.05013   0.09927
     Eigenvalues ---    0.10810   0.10954   0.10957   0.10960   0.11035
     Eigenvalues ---    0.11051   0.11057   0.11137   0.11176   0.11212
     Eigenvalues ---    0.11238   0.11291   0.11443   0.11494   0.11518
     Eigenvalues ---    0.11534   0.11833   0.12099   0.12245   0.12252
     Eigenvalues ---    0.12254   0.12269   0.12342   0.12354   0.12357
     Eigenvalues ---    0.12362   0.12366   0.12367   0.12386   0.12390
     Eigenvalues ---    0.12392   0.12484   0.12846   0.13656   0.16097
     Eigenvalues ---    0.16103   0.16106   0.16944   0.17721   0.17771
     Eigenvalues ---    0.17780   0.17854   0.18326   0.18543   0.18615
     Eigenvalues ---    0.18730   0.18743   0.18995   0.19162   0.19162
     Eigenvalues ---    0.19166   0.19243   0.19263   0.19271   0.19337
     Eigenvalues ---    0.19346   0.19349   0.19419   0.19521   0.19752
     Eigenvalues ---    0.19969   0.20123   0.20204   0.20278   0.20458
     Eigenvalues ---    0.20523   0.20949   0.21152   0.21567   0.21632
     Eigenvalues ---    0.21791   0.22565   0.22979   0.23015   0.23016
     Eigenvalues ---    0.23239   0.23718   0.23846   0.24008   0.25360
     Eigenvalues ---    0.26793   0.27351   0.27584   0.28311   0.28316
     Eigenvalues ---    0.28364   0.28387   0.29249   0.29843   0.29963
     Eigenvalues ---    0.29990   0.30135   0.30477   0.32318   0.34225
     Eigenvalues ---    0.34412   0.34649   0.34939   0.34946   0.34970
     Eigenvalues ---    0.35224   0.35358   0.35385   0.35405   0.35679
     Eigenvalues ---    0.35710   0.35736   0.35817   0.35951   0.35967
     Eigenvalues ---    0.35976   0.36136   0.36155   0.36158   0.36177
     Eigenvalues ---    0.36197   0.36202   0.36252   0.36275   0.36286
     Eigenvalues ---    0.36370   0.36380   0.36391   0.36420   0.36526
     Eigenvalues ---    0.36553   0.36561   0.36581   0.36625   0.36632
     Eigenvalues ---    0.36651   0.36738   0.36806   0.36916   0.37027
     Eigenvalues ---    0.37350   0.38035   0.38523   0.38616   0.38822
     Eigenvalues ---    0.39070   0.39325   0.39750   0.39924   0.41398
     Eigenvalues ---    0.41435   0.41441   0.41539   0.41669   0.42286
     Eigenvalues ---    0.42508   0.42537   0.42871   0.43255   0.43585
     Eigenvalues ---    0.43837   0.44357   0.44477   0.44661   0.44817
     Eigenvalues ---    0.44907   0.45366   0.45506   0.45828   0.46990
     Eigenvalues ---    0.46997   0.47007   0.47334   0.47348   0.47349
     Eigenvalues ---    0.47647   0.47747   0.48323   0.48571   0.49645
     Eigenvalues ---    0.50227   0.50822   0.50846   0.50856   0.51004
     Eigenvalues ---    0.51047   0.51139   0.51302   0.51326   0.52195
     Eigenvalues ---    0.57089   0.66606
 Angle between quadratic step and forces=  70.45 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00064097 RMS(Int)=  0.00000004
 Iteration  2 RMS(Cart)=  0.00000011 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63263   0.00000   0.00000   0.00001   0.00001   2.63264
    R2        2.66084   0.00000   0.00000   0.00001   0.00001   2.66085
    R3        2.66998  -0.00001   0.00000  -0.00003  -0.00003   2.66996
    R4        2.65851  -0.00000   0.00000  -0.00000  -0.00000   2.65850
    R5        2.04392   0.00000   0.00000   0.00000   0.00000   2.04393
    R6        2.67265  -0.00000   0.00000  -0.00001  -0.00001   2.67263
    R7        2.78230   0.00001   0.00000   0.00002   0.00002   2.78232
    R8        2.66079   0.00000   0.00000   0.00000   0.00000   2.66079
    R9        2.75749   0.00001   0.00000   0.00002   0.00002   2.75751
   R10        2.60961   0.00000   0.00000  -0.00000  -0.00000   2.60961
   R11        2.04689  -0.00000   0.00000  -0.00000  -0.00000   2.04689
   R12        2.04851  -0.00000   0.00000  -0.00000  -0.00000   2.04851
   R13        2.69604  -0.00000   0.00000  -0.00003  -0.00003   2.69601
   R14        2.65024   0.00000   0.00000   0.00000   0.00000   2.65025
   R15        2.74172   0.00001   0.00000   0.00001   0.00001   2.74173
   R16        2.67118   0.00000   0.00000   0.00001   0.00001   2.67119
   R17        2.72927   0.00000   0.00000  -0.00000  -0.00000   2.72926
   R18        2.54245   0.00001   0.00000   0.00001   0.00001   2.54246
   R19        2.50429   0.00000   0.00000  -0.00000  -0.00000   2.50429
   R20        2.63707   0.00000   0.00000   0.00001   0.00001   2.63707
   R21        2.04294   0.00000   0.00000   0.00000   0.00000   2.04294
   R22        2.65738   0.00000   0.00000   0.00002   0.00002   2.65741
   R23        2.66184  -0.00001   0.00000  -0.00004  -0.00004   2.66180
   R24        2.60914  -0.00000   0.00000  -0.00001  -0.00001   2.60913
   R25        2.04774  -0.00000   0.00000  -0.00000  -0.00000   2.04774
   R26        2.05511   0.00000   0.00000   0.00000   0.00000   2.05511
   R27        2.57773   0.00000   0.00000   0.00002   0.00002   2.57774
   R28        2.11693  -0.00000   0.00000  -0.00007  -0.00007   2.11686
   R29        5.52118  -0.00000   0.00000   0.00004   0.00004   5.52123
   R30        2.69591   0.00000   0.00000   0.00000   0.00000   2.69591
   R31        2.67678   0.00000   0.00000   0.00000   0.00000   2.67678
   R32        2.55410  -0.00000   0.00000  -0.00000  -0.00000   2.55410
   R33        2.67479  -0.00000   0.00000  -0.00001  -0.00001   2.67478
   R34        2.59632   0.00000   0.00000   0.00001   0.00001   2.59633
   R35        2.05253  -0.00000   0.00000   0.00000   0.00000   2.05253
   R36        2.69910  -0.00000   0.00000  -0.00001  -0.00001   2.69909
   R37        2.04859   0.00000   0.00000   0.00000   0.00000   2.04859
   R38        2.61186   0.00000   0.00000   0.00001   0.00001   2.61188
   R39        2.66259  -0.00001   0.00000  -0.00002  -0.00002   2.66257
   R40        2.04652  -0.00000   0.00000  -0.00000  -0.00000   2.04652
   R41        2.65417   0.00000   0.00000   0.00002   0.00002   2.65418
   R42        2.65524   0.00000   0.00000   0.00001   0.00001   2.65525
   R43        2.66006   0.00000   0.00000   0.00002   0.00002   2.66008
   R44        2.65846   0.00001   0.00000   0.00003   0.00003   2.65849
   R45        2.65889   0.00000   0.00000   0.00001   0.00001   2.65891
   R46        2.65777  -0.00000   0.00000  -0.00000  -0.00000   2.65777
   R47        2.67602   0.00000   0.00000   0.00000   0.00000   2.67602
   R48        2.64042   0.00000   0.00000   0.00000   0.00000   2.64043
   R49        2.73774  -0.00000   0.00000  -0.00000  -0.00000   2.73774
   R50        2.64367  -0.00000   0.00000  -0.00000  -0.00000   2.64367
   R51        2.67672   0.00000   0.00000  -0.00000  -0.00000   2.67672
   R52        2.64339   0.00000   0.00000   0.00000   0.00000   2.64339
   R53        2.64069   0.00000   0.00000   0.00000   0.00000   2.64069
   R54        2.67750   0.00000   0.00000   0.00000   0.00000   2.67751
   R55        2.64064   0.00000   0.00000   0.00000   0.00000   2.64064
   R56        2.73738  -0.00000   0.00000  -0.00001  -0.00001   2.73737
   R57        2.64414   0.00000   0.00000   0.00000   0.00000   2.64414
   R58        2.67759   0.00000   0.00000   0.00000   0.00000   2.67759
   R59        2.64421   0.00000   0.00000   0.00000   0.00000   2.64422
   R60        2.64051   0.00000   0.00000   0.00000   0.00000   2.64051
   R61        2.67666   0.00000   0.00000   0.00001   0.00001   2.67667
   R62        2.63971   0.00000   0.00000  -0.00000  -0.00000   2.63971
   R63        2.73801  -0.00000   0.00000  -0.00001  -0.00001   2.73800
   R64        2.64364   0.00000   0.00000   0.00000   0.00000   2.64364
   R65        2.67617   0.00000   0.00000   0.00000   0.00000   2.67617
   R66        2.64349   0.00000   0.00000   0.00000   0.00000   2.64349
   R67        2.64054   0.00000   0.00000   0.00000   0.00000   2.64055
   R68        2.63006  -0.00000   0.00000  -0.00000  -0.00000   2.63006
   R69        2.05234  -0.00000   0.00000  -0.00000  -0.00000   2.05234
   R70        2.65304   0.00000   0.00000  -0.00000  -0.00000   2.65304
   R71        2.05119  -0.00000   0.00000  -0.00000  -0.00000   2.05119
   R72        2.63386   0.00000   0.00000   0.00000   0.00000   2.63387
   R73        2.05183   0.00000   0.00000  -0.00000  -0.00000   2.05183
   R74        2.04817  -0.00000   0.00000  -0.00000  -0.00000   2.04817
   R75        2.63359  -0.00000   0.00000  -0.00000  -0.00000   2.63359
   R76        2.04783  -0.00000   0.00000  -0.00000  -0.00000   2.04783
   R77        2.65342   0.00000   0.00000   0.00000   0.00000   2.65343
   R78        2.05166   0.00000   0.00000   0.00000   0.00000   2.05166
   R79        2.62968  -0.00000   0.00000  -0.00000  -0.00000   2.62968
   R80        2.05121  -0.00000   0.00000  -0.00000  -0.00000   2.05121
   R81        2.05237  -0.00000   0.00000  -0.00000  -0.00000   2.05237
   R82        2.62965  -0.00000   0.00000  -0.00000  -0.00000   2.62965
   R83        2.05244   0.00000   0.00000   0.00000   0.00000   2.05244
   R84        2.65398   0.00000   0.00000   0.00000   0.00000   2.65398
   R85        2.05117  -0.00000   0.00000  -0.00000  -0.00000   2.05117
   R86        2.63336   0.00000   0.00000   0.00000   0.00000   2.63336
   R87        2.05186   0.00000   0.00000   0.00000   0.00000   2.05186
   R88        2.04860   0.00000   0.00000  -0.00000  -0.00000   2.04860
   R89        2.63344  -0.00000   0.00000  -0.00000  -0.00000   2.63344
   R90        2.04861  -0.00000   0.00000  -0.00000  -0.00000   2.04860
   R91        2.65403   0.00000   0.00000   0.00000   0.00000   2.65403
   R92        2.05197   0.00000   0.00000   0.00000   0.00000   2.05197
   R93        2.62985  -0.00000   0.00000  -0.00000  -0.00000   2.62985
   R94        2.05123  -0.00000   0.00000  -0.00000  -0.00000   2.05123
   R95        2.05242   0.00000   0.00000   0.00000   0.00000   2.05242
   R96        2.63012   0.00000   0.00000  -0.00000  -0.00000   2.63012
   R97        2.05231   0.00000   0.00000   0.00000   0.00000   2.05231
   R98        2.65326   0.00000   0.00000   0.00000   0.00000   2.65327
   R99        2.05114  -0.00000   0.00000  -0.00000  -0.00000   2.05114
   R100       2.63387  -0.00000   0.00000  -0.00000  -0.00000   2.63387
   R101       2.05166  -0.00000   0.00000   0.00000   0.00000   2.05166
   R102       2.04852  -0.00000   0.00000  -0.00000  -0.00000   2.04852
   R103       2.63380   0.00000   0.00000   0.00000   0.00000   2.63380
   R104       2.04804  -0.00000   0.00000  -0.00000  -0.00000   2.04804
   R105       2.65329   0.00000   0.00000   0.00000   0.00000   2.65329
   R106       2.05185   0.00000   0.00000   0.00000   0.00000   2.05185
   R107       2.62989  -0.00000   0.00000  -0.00000  -0.00000   2.62988
   R108       2.05118  -0.00000   0.00000  -0.00000  -0.00000   2.05118
   R109       2.05231   0.00000   0.00000   0.00000   0.00000   2.05231
   R110       3.42410   0.00000   0.00000   0.00011   0.00011   3.42422
    A1        2.08903  -0.00000   0.00000  -0.00001  -0.00001   2.08901
    A2        2.09673  -0.00000   0.00000   0.00001   0.00001   2.09674
    A3        2.09742   0.00000   0.00000   0.00001   0.00001   2.09743
    A4        2.12115  -0.00000   0.00000  -0.00000  -0.00000   2.12114
    A5        2.05303   0.00000   0.00000   0.00002   0.00002   2.05305
    A6        2.10876  -0.00000   0.00000  -0.00002  -0.00002   2.10875
    A7        2.06267   0.00000   0.00000   0.00002   0.00002   2.06268
    A8        2.13105  -0.00000   0.00000  -0.00001  -0.00001   2.13103
    A9        2.08931  -0.00000   0.00000  -0.00000  -0.00000   2.08930
   A10        2.09202  -0.00000   0.00000  -0.00001  -0.00001   2.09201
   A11        2.10003   0.00000   0.00000   0.00000   0.00000   2.10003
   A12        2.09114   0.00000   0.00000   0.00000   0.00000   2.09115
   A13        2.11408  -0.00000   0.00000  -0.00000  -0.00000   2.11407
   A14        2.06316   0.00000   0.00000   0.00001   0.00001   2.06316
   A15        2.10582  -0.00000   0.00000  -0.00000  -0.00000   2.10582
   A16        2.08716   0.00000   0.00000   0.00001   0.00001   2.08716
   A17        2.08953   0.00000   0.00000   0.00000   0.00000   2.08953
   A18        2.10636  -0.00000   0.00000  -0.00001  -0.00001   2.10635
   A19        2.10614   0.00000   0.00000   0.00000   0.00000   2.10614
   A20        2.11125  -0.00000   0.00000  -0.00001  -0.00001   2.11124
   A21        2.06570   0.00000   0.00000   0.00001   0.00001   2.06572
   A22        2.08062   0.00000   0.00000   0.00001   0.00001   2.08062
   A23        2.07915  -0.00000   0.00000  -0.00001  -0.00001   2.07914
   A24        2.12342   0.00000   0.00000  -0.00000  -0.00000   2.12341
   A25        2.10359  -0.00000   0.00000  -0.00000  -0.00000   2.10359
   A26        2.13638   0.00000   0.00000  -0.00001  -0.00001   2.13637
   A27        2.04321  -0.00000   0.00000   0.00001   0.00001   2.04322
   A28        2.08663   0.00000   0.00000  -0.00000  -0.00000   2.08663
   A29        2.06374  -0.00000   0.00000   0.00000   0.00000   2.06374
   A30        2.13281   0.00000   0.00000   0.00000   0.00000   2.13282
   A31        2.12747   0.00000   0.00000   0.00000   0.00000   2.12747
   A32        2.10136  -0.00000   0.00000  -0.00002  -0.00002   2.10134
   A33        2.05396   0.00000   0.00000   0.00002   0.00002   2.05397
   A34        2.08211  -0.00000   0.00000  -0.00002  -0.00002   2.08209
   A35        2.09715   0.00000   0.00000   0.00001   0.00001   2.09716
   A36        2.10392   0.00000   0.00000   0.00001   0.00001   2.10393
   A37        2.09556   0.00000   0.00000   0.00001   0.00001   2.09557
   A38        2.09707   0.00000   0.00000  -0.00000  -0.00000   2.09707
   A39        2.09032  -0.00000   0.00000  -0.00001  -0.00001   2.09030
   A40        2.11607   0.00000   0.00000  -0.00000  -0.00000   2.11606
   A41        2.10614  -0.00000   0.00000  -0.00000  -0.00000   2.10613
   A42        2.06089  -0.00000   0.00000   0.00001   0.00001   2.06090
   A43        2.13449  -0.00000   0.00000  -0.00002  -0.00002   2.13447
   A44        2.16643   0.00001   0.00000   0.00001   0.00001   2.16645
   A45        2.27392   0.00001   0.00000   0.00001   0.00001   2.27393
   A46        1.98216  -0.00000   0.00000   0.00000   0.00000   1.98216
   A47        1.87455  -0.00000   0.00000  -0.00000  -0.00000   1.87455
   A48        2.06258   0.00000   0.00000   0.00001   0.00001   2.06258
   A49        2.12183  -0.00000   0.00000  -0.00001  -0.00001   2.12181
   A50        2.09878   0.00000   0.00000   0.00000   0.00000   2.09878
   A51        2.10891   0.00000   0.00000   0.00000   0.00000   2.10892
   A52        2.08482  -0.00000   0.00000  -0.00001  -0.00001   2.08481
   A53        2.08933   0.00000   0.00000   0.00001   0.00001   2.08934
   A54        2.08435   0.00000   0.00000  -0.00001  -0.00001   2.08434
   A55        2.07440   0.00000   0.00000   0.00000   0.00000   2.07440
   A56        2.07342  -0.00000   0.00000  -0.00001  -0.00001   2.07340
   A57        2.13516   0.00000   0.00000   0.00001   0.00001   2.13517
   A58        2.12393  -0.00000   0.00000  -0.00000  -0.00000   2.12392
   A59        2.08800  -0.00000   0.00000  -0.00001  -0.00001   2.08799
   A60        2.07102   0.00000   0.00000   0.00001   0.00001   2.07103
   A61        2.09015  -0.00000   0.00000  -0.00001  -0.00001   2.09014
   A62        2.08142   0.00000   0.00000   0.00002   0.00002   2.08144
   A63        2.11146  -0.00000   0.00000  -0.00002  -0.00002   2.11144
   A64        2.09407   0.00000   0.00000   0.00001   0.00001   2.09408
   A65        2.06367   0.00000   0.00000   0.00001   0.00001   2.06368
   A66        2.12530  -0.00000   0.00000  -0.00002  -0.00002   2.12528
   A67        2.19411   0.00000   0.00000   0.00001   0.00001   2.19412
   A68        2.19874  -0.00000   0.00000  -0.00000  -0.00000   2.19873
   A69        1.89033  -0.00000   0.00000  -0.00001  -0.00001   1.89032
   A70        2.19415   0.00000   0.00000   0.00001   0.00001   2.19416
   A71        2.19975   0.00000   0.00000  -0.00000  -0.00000   2.19974
   A72        1.88925  -0.00000   0.00000  -0.00001  -0.00001   1.88924
   A73        2.20002   0.00000   0.00000   0.00000   0.00000   2.20002
   A74        2.19313  -0.00000   0.00000   0.00000   0.00000   2.19313
   A75        1.89003  -0.00000   0.00000  -0.00000  -0.00000   1.89003
   A76        1.89882   0.00000   0.00000   0.00000   0.00000   1.89882
   A77        2.26291   0.00000   0.00000   0.00001   0.00001   2.26292
   A78        2.12037  -0.00000   0.00000  -0.00001  -0.00001   2.12036
   A79        1.86891   0.00000   0.00000   0.00000   0.00000   1.86891
   A80        2.08873   0.00000   0.00000   0.00001   0.00001   2.08873
   A81        2.32543  -0.00000   0.00000  -0.00001  -0.00001   2.32542
   A82        1.86872   0.00000   0.00000   0.00001   0.00001   1.86873
   A83        2.32571  -0.00000   0.00000  -0.00001  -0.00001   2.32570
   A84        2.08860  -0.00000   0.00000   0.00000   0.00000   2.08860
   A85        1.89906  -0.00000   0.00000  -0.00000  -0.00000   1.89906
   A86        2.26387   0.00000   0.00000   0.00001   0.00001   2.26388
   A87        2.11905   0.00000   0.00000  -0.00000  -0.00000   2.11905
   A88        1.89983  -0.00000   0.00000  -0.00000  -0.00000   1.89982
   A89        2.26152   0.00000   0.00000   0.00001   0.00001   2.26153
   A90        2.12101  -0.00000   0.00000  -0.00001  -0.00001   2.12100
   A91        1.86752   0.00000   0.00000   0.00000   0.00000   1.86752
   A92        2.08729   0.00000   0.00000   0.00001   0.00001   2.08729
   A93        2.32828  -0.00000   0.00000  -0.00001  -0.00001   2.32827
   A94        1.86776   0.00000   0.00000   0.00000   0.00000   1.86776
   A95        2.32787  -0.00000   0.00000  -0.00001  -0.00001   2.32786
   A96        2.08746  -0.00000   0.00000   0.00000   0.00000   2.08747
   A97        1.89934   0.00000   0.00000   0.00000   0.00000   1.89934
   A98        2.26243  -0.00000   0.00000   0.00001   0.00001   2.26244
   A99        2.12061  -0.00000   0.00000  -0.00001  -0.00001   2.12060
   A100       1.89816  -0.00000   0.00000  -0.00000  -0.00000   1.89815
   A101       2.26360   0.00000   0.00000   0.00001   0.00001   2.26361
   A102       2.12045  -0.00000   0.00000  -0.00000  -0.00000   2.12044
   A103       1.86906   0.00000   0.00000   0.00000   0.00000   1.86907
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   D156       0.01986  -0.00000   0.00000  -0.00004  -0.00004   0.01982
   D157       0.00320  -0.00000   0.00000  -0.00001  -0.00001   0.00320
   D158       3.09695   0.00000   0.00000  -0.00000  -0.00000   3.09694
   D159      -3.12203  -0.00000   0.00000  -0.00005  -0.00005  -3.12209
   D160      -0.02829  -0.00000   0.00000  -0.00005  -0.00005  -0.02834
   D161      -3.11220  -0.00000   0.00000  -0.00003  -0.00003  -3.11223
   D162       0.02151  -0.00000   0.00000  -0.00004  -0.00004   0.02147
   D163       0.00793   0.00000   0.00000   0.00004   0.00004   0.00796
   D164      -3.14154   0.00000   0.00000   0.00002   0.00002  -3.14153
   D165       3.11054   0.00000   0.00000   0.00003   0.00003   3.11057
   D166      -0.01585   0.00000   0.00000   0.00004   0.00004  -0.01581
   D167       0.02784   0.00000   0.00000   0.00003   0.00003   0.02787
   D168      -3.09855   0.00000   0.00000   0.00004   0.00004  -3.09851
   D169       0.00288  -0.00000   0.00000  -0.00000  -0.00000   0.00287
   D170      -3.12529  -0.00000   0.00000  -0.00005  -0.00005  -3.12534
   D171       3.10446   0.00000   0.00000  -0.00000  -0.00000   3.10446
   D172      -0.02371  -0.00000   0.00000  -0.00005  -0.00005  -0.02376
   D173       3.11609   0.00000   0.00000   0.00003   0.00003   3.11612
   D174      -0.01576   0.00000   0.00000   0.00003   0.00003  -0.01573
   D175       0.02362   0.00000   0.00000   0.00003   0.00003   0.02365
   D176      -3.10822   0.00000   0.00000   0.00003   0.00003  -3.10820
   D177      -0.00369  -0.00000   0.00000  -0.00001  -0.00001  -0.00370
   D178       3.12238   0.00000   0.00000   0.00005   0.00005   3.12244
   D179       3.12184   0.00000   0.00000   0.00005   0.00005   3.12189
   D180      -0.03527   0.00000   0.00000   0.00011   0.00011  -0.03516
   D181       0.00676   0.00000   0.00000   0.00004   0.00004   0.00680
   D182      -3.14120   0.00000   0.00000   0.00002   0.00002  -3.14118
   D183      -3.11717  -0.00000   0.00000  -0.00002  -0.00002  -3.11719
   D184       0.01806  -0.00000   0.00000  -0.00004  -0.00004   0.01802
   D185       0.00317   0.00000   0.00000   0.00001   0.00001   0.00318
   D186       3.10552   0.00000   0.00000   0.00001   0.00001   3.10553
   D187      -3.12545  -0.00000   0.00000  -0.00004  -0.00004  -3.12549
   D188      -0.02309  -0.00000   0.00000  -0.00004  -0.00004  -0.02314
   D189      -3.11767  -0.00000   0.00000  -0.00003  -0.00003  -3.11770
   D190       0.01797  -0.00000   0.00000  -0.00005  -0.00005   0.01792
   D191       0.00685   0.00000   0.00000   0.00003   0.00003   0.00689
   D192      -3.14069   0.00000   0.00000   0.00002   0.00002  -3.14067
   D193       3.11573   0.00000   0.00000   0.00002   0.00002   3.11575
   D194      -0.01541   0.00000   0.00000   0.00002   0.00002  -0.01539
   D195       0.02236   0.00000   0.00000   0.00003   0.00003   0.02239
   D196      -3.10877   0.00000   0.00000   0.00003   0.00003  -3.10875
   D197       0.00755  -0.00000   0.00000  -0.00002  -0.00002   0.00753
   D198      -3.12061  -0.00000   0.00000  -0.00009  -0.00009  -3.12070
   D199       3.10593   0.00000   0.00000   0.00004   0.00004   3.10597
   D200      -0.02223  -0.00000   0.00000  -0.00004  -0.00004  -0.02226
   D201       3.10892   0.00000   0.00000   0.00008   0.00008   3.10899
   D202      -0.02269   0.00000   0.00000   0.00008   0.00008  -0.02261
   D203       0.02051   0.00000   0.00000   0.00001   0.00001   0.02052
   D204      -3.11109   0.00000   0.00000   0.00001   0.00001  -3.11108
   D205      -0.00437  -0.00000   0.00000  -0.00001  -0.00001  -0.00437
   D206       3.11863   0.00000   0.00000   0.00005   0.00005   3.11868
   D207       3.12119   0.00000   0.00000   0.00008   0.00008   3.12127
   D208      -0.03900   0.00000   0.00000   0.00014   0.00014  -0.03886
   D209       0.00706   0.00000   0.00000   0.00004   0.00004   0.00710
   D210      -3.14138   0.00000   0.00000   0.00002   0.00002  -3.14136
   D211      -3.11689  -0.00000   0.00000  -0.00006  -0.00006  -3.11695
   D212       0.01785  -0.00000   0.00000  -0.00008  -0.00008   0.01777
   D213      -0.00041   0.00000   0.00000   0.00003   0.00003  -0.00038
   D214       3.09696   0.00000   0.00000   0.00002   0.00002   3.09698
   D215      -3.12644  -0.00000   0.00000  -0.00002  -0.00002  -3.12646
   D216      -0.02906  -0.00000   0.00000  -0.00003  -0.00003  -0.02910
   D217      -3.11374  -0.00000   0.00000  -0.00004  -0.00004  -3.11377
   D218       0.02093  -0.00000   0.00000  -0.00005  -0.00005   0.02088
   D219       0.00740   0.00000   0.00000   0.00003   0.00003   0.00743
   D220      -3.14112   0.00000   0.00000   0.00001   0.00001  -3.14111
   D221       3.11774   0.00000   0.00000   0.00000   0.00000   3.11775
   D222      -0.01215   0.00000   0.00000  -0.00001  -0.00001  -0.01215
   D223       0.03048   0.00000   0.00000   0.00002   0.00002   0.03050
   D224      -3.09941   0.00000   0.00000   0.00001   0.00001  -3.09940
   D225       0.01162  -0.00000   0.00000  -0.00001  -0.00001   0.01162
   D226      -3.13942   0.00000   0.00000   0.00001   0.00001  -3.13942
   D227      -3.12207   0.00000   0.00000   0.00001   0.00001  -3.12206
   D228       0.01007   0.00000   0.00000   0.00002   0.00002   0.01009
   D229      -0.01183  -0.00000   0.00000  -0.00002  -0.00002  -0.01185
   D230       3.12480  -0.00000   0.00000  -0.00002  -0.00002   3.12478
   D231       3.13919  -0.00000   0.00000  -0.00003  -0.00003   3.13916
   D232      -0.00736  -0.00000   0.00000  -0.00003  -0.00003  -0.00740
   D233      -0.00790   0.00000   0.00000   0.00000   0.00000  -0.00790
   D234       3.11865   0.00000   0.00000  -0.00000  -0.00000   3.11865
   D235       3.13863   0.00000   0.00000   0.00001   0.00001   3.13864
   D236      -0.01801   0.00000   0.00000   0.00000   0.00000  -0.01800
   D237      -0.00890  -0.00000   0.00000  -0.00000  -0.00000  -0.00890
   D238       3.13509   0.00000   0.00000   0.00001   0.00001   3.13510
   D239       3.12635   0.00000   0.00000   0.00002   0.00002   3.12637
   D240      -0.01284   0.00000   0.00000   0.00003   0.00003  -0.01281
   D241      -0.00947  -0.00000   0.00000  -0.00001  -0.00001  -0.00948
   D242       3.13879  -0.00000   0.00000  -0.00002  -0.00002   3.13877
   D243       3.12971  -0.00000   0.00000  -0.00002  -0.00002   3.12969
   D244      -0.00521  -0.00000   0.00000  -0.00004  -0.00004  -0.00525
   D245       0.01017  -0.00000   0.00000  -0.00001  -0.00001   0.01017
   D246      -3.12529   0.00000   0.00000   0.00001   0.00001  -3.12528
   D247      -3.13810   0.00000   0.00000   0.00001   0.00001  -3.13810
   D248       0.00961   0.00000   0.00000   0.00003   0.00003   0.00964
   D249       0.00906  -0.00000   0.00000  -0.00001  -0.00001   0.00905
   D250      -3.13899   0.00000   0.00000   0.00000   0.00000  -3.13899
   D251      -3.12657  -0.00000   0.00000   0.00001   0.00001  -3.12656
   D252       0.00856   0.00000   0.00000   0.00002   0.00002   0.00858
   D253      -0.00961  -0.00000   0.00000  -0.00001  -0.00001  -0.00962
   D254       3.12903  -0.00000   0.00000  -0.00001  -0.00001   3.12902
   D255       3.13842  -0.00000   0.00000  -0.00002  -0.00002   3.13840
   D256      -0.00612  -0.00000   0.00000  -0.00002  -0.00002  -0.00615
   D257      -0.00610   0.00000   0.00000   0.00000   0.00000  -0.00610
   D258       3.12513   0.00000   0.00000   0.00000   0.00000   3.12513
   D259       3.13844   0.00000   0.00000   0.00001   0.00001   3.13844
   D260      -0.01352   0.00000   0.00000   0.00001   0.00001  -0.01352
   D261      -0.00734   0.00000   0.00000   0.00000   0.00000  -0.00734
   D262       3.13888   0.00000   0.00000   0.00001   0.00001   3.13889
   D263       3.12459   0.00000   0.00000   0.00000   0.00000   3.12459
   D264      -0.01237   0.00000   0.00000   0.00001   0.00001  -0.01237
   D265      -0.00902  -0.00000   0.00000  -0.00001  -0.00001  -0.00904
   D266       3.13998  -0.00000   0.00000  -0.00002  -0.00002   3.13996
   D267       3.12792  -0.00000   0.00000  -0.00002  -0.00002   3.12790
   D268      -0.00626  -0.00000   0.00000  -0.00003  -0.00003  -0.00629
   D269       0.00917  -0.00000   0.00000  -0.00001  -0.00001   0.00916
   D270      -3.12605   0.00000   0.00000   0.00001   0.00001  -3.12604
   D271      -3.13986   0.00000   0.00000   0.00000   0.00000  -3.13985
   D272       0.00811   0.00000   0.00000   0.00002   0.00002   0.00813
   D273       0.01146  -0.00000   0.00000  -0.00001  -0.00001   0.01145
   D274      -3.13948   0.00000   0.00000   0.00001   0.00001  -3.13948
   D275      -3.12319   0.00000   0.00000   0.00000   0.00000  -3.12319
   D276       0.00905   0.00000   0.00000   0.00002   0.00002   0.00907
   D277      -0.00968  -0.00000   0.00000  -0.00000  -0.00000  -0.00968
   D278       3.12566  -0.00000   0.00000  -0.00001  -0.00001   3.12565
   D279       3.14124  -0.00000   0.00000  -0.00002  -0.00002   3.14122
   D280      -0.00661  -0.00000   0.00000  -0.00003  -0.00003  -0.00664
   D281      -0.01121   0.00000   0.00000  -0.00000  -0.00000  -0.01121
   D282       3.11883   0.00000   0.00000   0.00001   0.00001   3.11884
   D283       3.13661   0.00000   0.00000   0.00001   0.00001   3.13662
   D284      -0.01654   0.00000   0.00000   0.00002   0.00002  -0.01652
   D285      -0.00430   0.00000   0.00000   0.00001   0.00001  -0.00428
   D286       3.13975   0.00000   0.00000   0.00001   0.00001   3.13976
   D287       3.12741   0.00000   0.00000   0.00001   0.00001   3.12742
   D288      -0.01173   0.00000   0.00000   0.00001   0.00001  -0.01173
   D289      -0.01039  -0.00000   0.00000  -0.00001  -0.00001  -0.01040
   D290       3.13792  -0.00000   0.00000  -0.00002  -0.00002   3.13789
   D291       3.12874  -0.00000   0.00000  -0.00001  -0.00001   3.12873
   D292      -0.00614  -0.00000   0.00000  -0.00002  -0.00002  -0.00616
   D293       0.00881  -0.00000   0.00000  -0.00002  -0.00002   0.00879
   D294      -3.12592   0.00000   0.00000   0.00000   0.00000  -3.12591
   D295      -3.13952  -0.00000   0.00000  -0.00000  -0.00000  -3.13952
   D296       0.00894   0.00000   0.00000   0.00002   0.00002   0.00896
         Item               Value     Threshold  Converged?
 Maximum Force            0.000011     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.003643     0.001800     NO 
 RMS     Displacement     0.000641     0.001200     YES
 Predicted change in Energy=-1.100064D-08
                           ----------------------------
                           ! Non-Optimized Parameters !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3931         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4081         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4129         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4068         -DE/DX =    0.0                 !
 ! R5    R(2,62)                 1.0816         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4143         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4723         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.408          -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4592         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.3809         -DE/DX =    0.0                 !
 ! R11   R(5,63)                 1.0832         -DE/DX =    0.0                 !
 ! R12   R(6,64)                 1.084          -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4267         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.4025         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.4509         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.4135         -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.4443         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.3454         -DE/DX =    0.0                 !
 ! R19   R(10,18)                1.3252         -DE/DX =    0.0                 !
 ! R20   R(11,12)                1.3955         -DE/DX =    0.0                 !
 ! R21   R(11,65)                1.0811         -DE/DX =    0.0                 !
 ! R22   R(12,13)                1.4062         -DE/DX =    0.0                 !
 ! R23   R(12,24)                1.4086         -DE/DX =    0.0                 !
 ! R24   R(13,14)                1.3807         -DE/DX =    0.0                 !
 ! R25   R(13,66)                1.0836         -DE/DX =    0.0                 !
 ! R26   R(14,67)                1.0875         -DE/DX =    0.0                 !
 ! R27   R(15,16)                1.3641         -DE/DX =    0.0                 !
 ! R28   R(15,68)                1.1202         -DE/DX =    0.0                 !
 ! R29   R(15,96)                2.9217         -DE/DX =    0.0                 !
 ! R30   R(16,17)                1.4266         -DE/DX =    0.0                 !
 ! R31   R(16,19)                1.4165         -DE/DX =    0.0                 !
 ! R32   R(17,18)                1.3516         -DE/DX =    0.0                 !
 ! R33   R(17,22)                1.4154         -DE/DX =    0.0                 !
 ! R34   R(19,20)                1.3739         -DE/DX =    0.0                 !
 ! R35   R(19,69)                1.0862         -DE/DX =    0.0                 !
 ! R36   R(20,21)                1.4283         -DE/DX =    0.0                 !
 ! R37   R(20,70)                1.0841         -DE/DX =    0.0                 !
 ! R38   R(21,22)                1.3821         -DE/DX =    0.0                 !
 ! R39   R(21,25)                1.409          -DE/DX =    0.0                 !
 ! R40   R(22,71)                1.083          -DE/DX =    0.0                 !
 ! R41   R(23,30)                1.4045         -DE/DX =    0.0                 !
 ! R42   R(23,33)                1.4051         -DE/DX =    0.0                 !
 ! R43   R(24,26)                1.4077         -DE/DX =    0.0                 !
 ! R44   R(24,29)                1.4068         -DE/DX =    0.0                 !
 ! R45   R(25,34)                1.407          -DE/DX =    0.0                 !
 ! R46   R(25,37)                1.4064         -DE/DX =    0.0                 !
 ! R47   R(26,27)                1.4161         -DE/DX =    0.0                 !
 ! R48   R(26,42)                1.3973         -DE/DX =    0.0                 !
 ! R49   R(27,28)                1.4487         -DE/DX =    0.0                 !
 ! R50   R(27,45)                1.399          -DE/DX =    0.0                 !
 ! R51   R(28,29)                1.4165         -DE/DX =    0.0                 !
 ! R52   R(28,38)                1.3988         -DE/DX =    0.0                 !
 ! R53   R(29,41)                1.3974         -DE/DX =    0.0                 !
 ! R54   R(30,31)                1.4169         -DE/DX =    0.0                 !
 ! R55   R(30,50)                1.3974         -DE/DX =    0.0                 !
 ! R56   R(31,32)                1.4486         -DE/DX =    0.0                 !
 ! R57   R(31,53)                1.3992         -DE/DX =    0.0                 !
 ! R58   R(32,33)                1.4169         -DE/DX =    0.0                 !
 ! R59   R(32,46)                1.3993         -DE/DX =    0.0                 !
 ! R60   R(33,49)                1.3973         -DE/DX =    0.0                 !
 ! R61   R(34,35)                1.4164         -DE/DX =    0.0                 !
 ! R62   R(34,58)                1.3969         -DE/DX =    0.0                 !
 ! R63   R(35,36)                1.4489         -DE/DX =    0.0                 !
 ! R64   R(35,61)                1.399          -DE/DX =    0.0                 !
 ! R65   R(36,37)                1.4162         -DE/DX =    0.0                 !
 ! R66   R(36,54)                1.3989         -DE/DX =    0.0                 !
 ! R67   R(37,57)                1.3973         -DE/DX =    0.0                 !
 ! R68   R(38,39)                1.3918         -DE/DX =    0.0                 !
 ! R69   R(38,72)                1.0861         -DE/DX =    0.0                 !
 ! R70   R(39,40)                1.4039         -DE/DX =    0.0                 !
 ! R71   R(39,73)                1.0854         -DE/DX =    0.0                 !
 ! R72   R(40,41)                1.3938         -DE/DX =    0.0                 !
 ! R73   R(40,74)                1.0858         -DE/DX =    0.0                 !
 ! R74   R(41,75)                1.0838         -DE/DX =    0.0                 !
 ! R75   R(42,43)                1.3936         -DE/DX =    0.0                 !
 ! R76   R(42,76)                1.0837         -DE/DX =    0.0                 !
 ! R77   R(43,44)                1.4041         -DE/DX =    0.0                 !
 ! R78   R(43,77)                1.0857         -DE/DX =    0.0                 !
 ! R79   R(44,45)                1.3916         -DE/DX =    0.0                 !
 ! R80   R(44,78)                1.0855         -DE/DX =    0.0                 !
 ! R81   R(45,79)                1.0861         -DE/DX =    0.0                 !
 ! R82   R(46,47)                1.3916         -DE/DX =    0.0                 !
 ! R83   R(46,80)                1.0861         -DE/DX =    0.0                 !
 ! R84   R(47,48)                1.4044         -DE/DX =    0.0                 !
 ! R85   R(47,81)                1.0854         -DE/DX =    0.0                 !
 ! R86   R(48,49)                1.3935         -DE/DX =    0.0                 !
 ! R87   R(48,82)                1.0858         -DE/DX =    0.0                 !
 ! R88   R(49,83)                1.0841         -DE/DX =    0.0                 !
 ! R89   R(50,51)                1.3936         -DE/DX =    0.0                 !
 ! R90   R(50,84)                1.0841         -DE/DX =    0.0                 !
 ! R91   R(51,52)                1.4045         -DE/DX =    0.0                 !
 ! R92   R(51,85)                1.0859         -DE/DX =    0.0                 !
 ! R93   R(52,53)                1.3917         -DE/DX =    0.0                 !
 ! R94   R(52,86)                1.0855         -DE/DX =    0.0                 !
 ! R95   R(53,87)                1.0861         -DE/DX =    0.0                 !
 ! R96   R(54,55)                1.3918         -DE/DX =    0.0                 !
 ! R97   R(54,88)                1.086          -DE/DX =    0.0                 !
 ! R98   R(55,56)                1.404          -DE/DX =    0.0                 !
 ! R99   R(55,89)                1.0854         -DE/DX =    0.0                 !
 ! R100  R(56,57)                1.3938         -DE/DX =    0.0                 !
 ! R101  R(56,90)                1.0857         -DE/DX =    0.0                 !
 ! R102  R(57,91)                1.084          -DE/DX =    0.0                 !
 ! R103  R(58,59)                1.3937         -DE/DX =    0.0                 !
 ! R104  R(58,92)                1.0838         -DE/DX =    0.0                 !
 ! R105  R(59,60)                1.4041         -DE/DX =    0.0                 !
 ! R106  R(59,93)                1.0858         -DE/DX =    0.0                 !
 ! R107  R(60,61)                1.3917         -DE/DX =    0.0                 !
 ! R108  R(60,94)                1.0854         -DE/DX =    0.0                 !
 ! R109  R(61,95)                1.086          -DE/DX =    0.0                 !
 ! R110  R(68,96)                1.812          -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              119.6917         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             120.1343         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.174          -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              121.5325         -DE/DX =    0.0                 !
 ! A5    A(1,2,62)             117.631          -DE/DX =    0.0                 !
 ! A6    A(3,2,62)             120.8225         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              118.183          -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.0992         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              119.7082         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.8633         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.3229         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             119.8138         -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              121.1275         -DE/DX =    0.0                 !
 ! A14   A(4,5,63)             118.2105         -DE/DX =    0.0                 !
 ! A15   A(6,5,63)             120.6544         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              119.5857         -DE/DX =    0.0                 !
 ! A17   A(1,6,64)             119.721          -DE/DX =    0.0                 !
 ! A18   A(5,6,64)             120.685          -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              120.6731         -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             120.9651         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             118.3568         -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              119.211          -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             119.1262         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             121.6627         -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             120.5268         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             122.4048         -DE/DX =    0.0                 !
 ! A27   A(10,9,15)            117.0681         -DE/DX =    0.0                 !
 ! A28   A(4,10,9)             119.5548         -DE/DX =    0.0                 !
 ! A29   A(4,10,18)            118.2438         -DE/DX =    0.0                 !
 ! A30   A(9,10,18)            122.2014         -DE/DX =    0.0                 !
 ! A31   A(7,11,12)            121.895          -DE/DX =    0.0                 !
 ! A32   A(7,11,65)            120.3982         -DE/DX =    0.0                 !
 ! A33   A(12,11,65)           117.6841         -DE/DX =    0.0                 !
 ! A34   A(11,12,13)           119.2951         -DE/DX =    0.0                 !
 ! A35   A(11,12,24)           120.1584         -DE/DX =    0.0                 !
 ! A36   A(13,12,24)           120.5465         -DE/DX =    0.0                 !
 ! A37   A(12,13,14)           120.0676         -DE/DX =    0.0                 !
 ! A38   A(12,13,66)           120.1531         -DE/DX =    0.0                 !
 ! A39   A(14,13,66)           119.7656         -DE/DX =    0.0                 !
 ! A40   A(8,14,13)            121.2415         -DE/DX =    0.0                 !
 ! A41   A(8,14,67)            120.6726         -DE/DX =    0.0                 !
 ! A42   A(13,14,67)           118.0807         -DE/DX =    0.0                 !
 ! A43   A(9,15,16)            122.2959         -DE/DX =    0.0                 !
 ! A44   A(9,15,68)            124.1283         -DE/DX =    0.0                 !
 ! A45   A(9,15,96)            130.2867         -DE/DX =    0.0                 !
 ! A46   A(16,15,68)           113.5692         -DE/DX =    0.0                 !
 ! A47   A(16,15,96)           107.4037         -DE/DX =    0.0                 !
 ! A48   A(15,16,17)           118.1773         -DE/DX =    0.0                 !
 ! A49   A(15,16,19)           121.571          -DE/DX =    0.0                 !
 ! A50   A(17,16,19)           120.2512         -DE/DX =    0.0                 !
 ! A51   A(16,17,18)           120.832          -DE/DX =    0.0                 !
 ! A52   A(16,17,22)           119.4506         -DE/DX =    0.0                 !
 ! A53   A(18,17,22)           119.7106         -DE/DX =    0.0                 !
 ! A54   A(10,18,17)           119.4241         -DE/DX =    0.0                 !
 ! A55   A(16,19,20)           118.8544         -DE/DX =    0.0                 !
 ! A56   A(16,19,69)           118.7972         -DE/DX =    0.0                 !
 ! A57   A(20,19,69)           122.3364         -DE/DX =    0.0                 !
 ! A58   A(19,20,21)           121.6919         -DE/DX =    0.0                 !
 ! A59   A(19,20,70)           119.633          -DE/DX =    0.0                 !
 ! A60   A(21,20,70)           118.6614         -DE/DX =    0.0                 !
 ! A61   A(20,21,22)           119.7562         -DE/DX =    0.0                 !
 ! A62   A(20,21,25)           119.2579         -DE/DX =    0.0                 !
 ! A63   A(22,21,25)           120.9768         -DE/DX =    0.0                 !
 ! A64   A(17,22,21)           119.9821         -DE/DX =    0.0                 !
 ! A65   A(17,22,71)           118.2399         -DE/DX =    0.0                 !
 ! A66   A(21,22,71)           121.7694         -DE/DX =    0.0                 !
 ! A67   A(1,23,30)            125.7138         -DE/DX =    0.0                 !
 ! A68   A(1,23,33)            125.9782         -DE/DX =    0.0                 !
 ! A69   A(30,23,33)           108.3074         -DE/DX =    0.0                 !
 ! A70   A(12,24,26)           125.7163         -DE/DX =    0.0                 !
 ! A71   A(12,24,29)           126.0361         -DE/DX =    0.0                 !
 ! A72   A(26,24,29)           108.2456         -DE/DX =    0.0                 !
 ! A73   A(21,25,34)           126.0517         -DE/DX =    0.0                 !
 ! A74   A(21,25,37)           125.6571         -DE/DX =    0.0                 !
 ! A75   A(34,25,37)           108.2905         -DE/DX =    0.0                 !
 ! A76   A(24,26,27)           108.7943         -DE/DX =    0.0                 !
 ! A77   A(24,26,42)           129.6556         -DE/DX =    0.0                 !
 ! A78   A(27,26,42)           121.4878         -DE/DX =    0.0                 !
 ! A79   A(26,27,28)           107.0809         -DE/DX =    0.0                 !
 ! A80   A(26,27,45)           119.6755         -DE/DX =    0.0                 !
 ! A81   A(28,27,45)           133.2369         -DE/DX =    0.0                 !
 ! A82   A(27,28,29)           107.0703         -DE/DX =    0.0                 !
 ! A83   A(27,28,38)           133.253          -DE/DX =    0.0                 !
 ! A84   A(29,28,38)           119.6681         -DE/DX =    0.0                 !
 ! A85   A(24,29,28)           108.8081         -DE/DX =    0.0                 !
 ! A86   A(24,29,41)           129.7106         -DE/DX =    0.0                 !
 ! A87   A(28,29,41)           121.4124         -DE/DX =    0.0                 !
 ! A88   A(23,30,31)           108.8519         -DE/DX =    0.0                 !
 ! A89   A(23,30,50)           129.5759         -DE/DX =    0.0                 !
 ! A90   A(31,30,50)           121.5242         -DE/DX =    0.0                 !
 ! A91   A(30,31,32)           107.0011         -DE/DX =    0.0                 !
 ! A92   A(30,31,53)           119.5931         -DE/DX =    0.0                 !
 ! A93   A(32,31,53)           133.4            -DE/DX =    0.0                 !
 ! A94   A(31,32,33)           107.015          -DE/DX =    0.0                 !
 ! A95   A(31,32,46)           133.3765         -DE/DX =    0.0                 !
 ! A96   A(33,32,46)           119.603          -DE/DX =    0.0                 !
 ! A97   A(23,33,32)           108.8242         -DE/DX =    0.0                 !
 ! A98   A(23,33,49)           129.6282         -DE/DX =    0.0                 !
 ! A99   A(32,33,49)           121.5014         -DE/DX =    0.0                 !
 ! A100  A(25,34,35)           108.7562         -DE/DX =    0.0                 !
 ! A101  A(25,34,58)           129.6953         -DE/DX =    0.0                 !
 ! A102  A(35,34,58)           121.4925         -DE/DX =    0.0                 !
 ! A103  A(34,35,36)           107.0896         -DE/DX =    0.0                 !
 ! A104  A(34,35,61)           119.6391         -DE/DX =    0.0                 !
 ! A105  A(36,35,61)           133.2654         -DE/DX =    0.0                 !
 ! A106  A(35,36,37)           107.0482         -DE/DX =    0.0                 !
 ! A107  A(35,36,54)           133.321          -DE/DX =    0.0                 !
 ! A108  A(37,36,54)           119.6229         -DE/DX =    0.0                 !
 ! A109  A(25,37,36)           108.8134         -DE/DX =    0.0                 !
 ! A110  A(25,37,57)           129.5992         -DE/DX =    0.0                 !
 ! A111  A(36,37,57)           121.5287         -DE/DX =    0.0                 !
 ! A112  A(28,38,39)           119.1511         -DE/DX =    0.0                 !
 ! A113  A(28,38,72)           120.3141         -DE/DX =    0.0                 !
 ! A114  A(39,38,72)           120.5332         -DE/DX =    0.0                 !
 ! A115  A(38,39,40)           120.5123         -DE/DX =    0.0                 !
 ! A116  A(38,39,73)           119.8717         -DE/DX =    0.0                 !
 ! A117  A(40,39,73)           119.6138         -DE/DX =    0.0                 !
 ! A118  A(39,40,41)           121.4321         -DE/DX =    0.0                 !
 ! A119  A(39,40,74)           119.5441         -DE/DX =    0.0                 !
 ! A120  A(41,40,74)           119.0232         -DE/DX =    0.0                 !
 ! A121  A(29,41,40)           117.8012         -DE/DX =    0.0                 !
 ! A122  A(29,41,75)           121.6044         -DE/DX =    0.0                 !
 ! A123  A(40,41,75)           120.5886         -DE/DX =    0.0                 !
 ! A124  A(26,42,43)           117.7096         -DE/DX =    0.0                 !
 ! A125  A(26,42,76)           121.7365         -DE/DX =    0.0                 !
 ! A126  A(43,42,76)           120.5528         -DE/DX =    0.0                 !
 ! A127  A(42,43,44)           121.479          -DE/DX =    0.0                 !
 ! A128  A(42,43,77)           118.9639         -DE/DX =    0.0                 !
 ! A129  A(44,43,77)           119.5569         -DE/DX =    0.0                 !
 ! A130  A(43,44,45)           120.529          -DE/DX =    0.0                 !
 ! A131  A(43,44,78)           119.6039         -DE/DX =    0.0                 !
 ! A132  A(45,44,78)           119.8661         -DE/DX =    0.0                 !
 ! A133  A(27,45,44)           119.0994         -DE/DX =    0.0                 !
 ! A134  A(27,45,79)           120.3383         -DE/DX =    0.0                 !
 ! A135  A(44,45,79)           120.5614         -DE/DX =    0.0                 !
 ! A136  A(32,46,47)           119.1466         -DE/DX =    0.0                 !
 ! A137  A(32,46,80)           120.329          -DE/DX =    0.0                 !
 ! A138  A(47,46,80)           120.5236         -DE/DX =    0.0                 !
 ! A139  A(46,47,48)           120.541          -DE/DX =    0.0                 !
 ! A140  A(46,47,81)           119.8657         -DE/DX =    0.0                 !
 ! A141  A(48,47,81)           119.5922         -DE/DX =    0.0                 !
 ! A142  A(47,48,49)           121.4423         -DE/DX =    0.0                 !
 ! A143  A(47,48,82)           119.5195         -DE/DX =    0.0                 !
 ! A144  A(49,48,82)           119.0379         -DE/DX =    0.0                 !
 ! A145  A(33,49,48)           117.7508         -DE/DX =    0.0                 !
 ! A146  A(33,49,83)           121.5378         -DE/DX =    0.0                 !
 ! A147  A(48,49,83)           120.7087         -DE/DX =    0.0                 !
 ! A148  A(30,50,51)           117.7324         -DE/DX =    0.0                 !
 ! A149  A(30,50,84)           121.5356         -DE/DX =    0.0                 !
 ! A150  A(51,50,84)           120.7295         -DE/DX =    0.0                 !
 ! A151  A(50,51,52)           121.4435         -DE/DX =    0.0                 !
 ! A152  A(50,51,85)           119.0459         -DE/DX =    0.0                 !
 ! A153  A(52,51,85)           119.5101         -DE/DX =    0.0                 !
 ! A154  A(51,52,53)           120.5467         -DE/DX =    0.0                 !
 ! A155  A(51,52,86)           119.5949         -DE/DX =    0.0                 !
 ! A156  A(53,52,86)           119.857          -DE/DX =    0.0                 !
 ! A157  A(31,53,52)           119.1442         -DE/DX =    0.0                 !
 ! A158  A(31,53,87)           120.3341         -DE/DX =    0.0                 !
 ! A159  A(52,53,87)           120.5207         -DE/DX =    0.0                 !
 ! A160  A(36,54,55)           119.1179         -DE/DX =    0.0                 !
 ! A161  A(36,54,88)           120.345          -DE/DX =    0.0                 !
 ! A162  A(55,54,88)           120.5359         -DE/DX =    0.0                 !
 ! A163  A(54,55,56)           120.5562         -DE/DX =    0.0                 !
 ! A164  A(54,55,89)           119.8527         -DE/DX =    0.0                 !
 ! A165  A(56,55,89)           119.5889         -DE/DX =    0.0                 !
 ! A166  A(55,56,57)           121.4389         -DE/DX =    0.0                 !
 ! A167  A(55,56,90)           119.552          -DE/DX =    0.0                 !
 ! A168  A(57,56,90)           119.0082         -DE/DX =    0.0                 !
 ! A169  A(37,57,56)           117.7107         -DE/DX =    0.0                 !
 ! A170  A(37,57,91)           121.7418         -DE/DX =    0.0                 !
 ! A171  A(56,57,91)           120.5441         -DE/DX =    0.0                 !
 ! A172  A(34,58,59)           117.7452         -DE/DX =    0.0                 !
 ! A173  A(34,58,92)           121.6028         -DE/DX =    0.0                 !
 ! A174  A(59,58,92)           120.6495         -DE/DX =    0.0                 !
 ! A175  A(58,59,60)           121.4542         -DE/DX =    0.0                 !
 ! A176  A(58,59,93)           119.016          -DE/DX =    0.0                 !
 ! A177  A(60,59,93)           119.5296         -DE/DX =    0.0                 !
 ! A178  A(59,60,61)           120.5236         -DE/DX =    0.0                 !
 ! A179  A(59,60,94)           119.6114         -DE/DX =    0.0                 !
 ! A180  A(61,60,94)           119.8639         -DE/DX =    0.0                 !
 ! A181  A(35,61,60)           119.1318         -DE/DX =    0.0                 !
 ! A182  A(35,61,95)           120.3259         -DE/DX =    0.0                 !
 ! A183  A(60,61,95)           120.541          -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)              0.7357         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,62)          -177.9084         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)          -179.1931         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,62)            2.1628         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)              0.4335         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,64)          -178.5319         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)          -179.6377         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,64)            1.3969         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,30)         -129.7532         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,33)           50.5647         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,30)           50.3183         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,33)         -129.3638         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)             -1.4161         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)            179.7196         -DE/DX =    0.0                 !
 ! D15   D(62,2,3,4)           177.185          -DE/DX =    0.0                 !
 ! D16   D(62,2,3,7)            -1.6793         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)              0.9526         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)          -179.0385         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            179.845          -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)            -0.1462         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)            178.5541         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)            -2.2721         -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             -0.2933         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)           178.8804         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)              0.1824         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,63)           179.1857         -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)          -179.8264         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,63)           -0.8231         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)             0.2114         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)         -179.7546         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)          -179.7798         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)            0.2543         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)             -0.8866         -DE/DX =    0.0                 !
 ! D34   D(4,5,6,64)           178.0687         -DE/DX =    0.0                 !
 ! D35   D(63,5,6,1)          -179.8656         -DE/DX =    0.0                 !
 ! D36   D(63,5,6,64)           -0.9103         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              0.6548         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -179.4877         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)          -178.5401         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)            1.3174         -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          179.4023         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,65)           -2.3755         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)           -1.4052         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,65)          176.8169         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)            -0.5874         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)           179.2266         -DE/DX =    0.0                 !
 ! D47   D(14,8,9,10)          179.5588         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,15)           -0.6272         -DE/DX =    0.0                 !
 ! D49   D(7,8,14,13)           -0.2801         -DE/DX =    0.0                 !
 ! D50   D(7,8,14,67)          178.8716         -DE/DX =    0.0                 !
 ! D51   D(9,8,14,13)          179.5737         -DE/DX =    0.0                 !
 ! D52   D(9,8,14,67)           -1.2745         -DE/DX =    0.0                 !
 ! D53   D(8,9,10,4)             0.1575         -DE/DX =    0.0                 !
 ! D54   D(8,9,10,18)         -179.878          -DE/DX =    0.0                 !
 ! D55   D(15,9,10,4)         -179.6662         -DE/DX =    0.0                 !
 ! D56   D(15,9,10,18)           0.2983         -DE/DX =    0.0                 !
 ! D57   D(8,9,15,16)          179.738          -DE/DX =    0.0                 !
 ! D58   D(8,9,15,68)           -1.2581         -DE/DX =    0.0                 !
 ! D59   D(8,9,15,96)           -1.7904         -DE/DX =    0.0                 !
 ! D60   D(10,9,15,16)          -0.4419         -DE/DX =    0.0                 !
 ! D61   D(10,9,15,68)         178.562          -DE/DX =    0.0                 !
 ! D62   D(10,9,15,96)         178.0297         -DE/DX =    0.0                 !
 ! D63   D(4,10,18,17)         179.9069         -DE/DX =    0.0                 !
 ! D64   D(9,10,18,17)          -0.0581         -DE/DX =    0.0                 !
 ! D65   D(7,11,12,13)           0.4235         -DE/DX =    0.0                 !
 ! D66   D(7,11,12,24)        -179.6255         -DE/DX =    0.0                 !
 ! D67   D(65,11,12,13)       -177.8448         -DE/DX =    0.0                 !
 ! D68   D(65,11,12,24)          2.1061         -DE/DX =    0.0                 !
 ! D69   D(11,12,13,14)          0.6612         -DE/DX =    0.0                 !
 ! D70   D(11,12,13,66)       -177.9883         -DE/DX =    0.0                 !
 ! D71   D(24,12,13,14)       -179.2895         -DE/DX =    0.0                 !
 ! D72   D(24,12,13,66)          2.0609         -DE/DX =    0.0                 !
 ! D73   D(11,12,24,26)       -132.4513         -DE/DX =    0.0                 !
 ! D74   D(11,12,24,29)         46.9659         -DE/DX =    0.0                 !
 ! D75   D(13,12,24,26)         47.4991         -DE/DX =    0.0                 !
 ! D76   D(13,12,24,29)       -133.0837         -DE/DX =    0.0                 !
 ! D77   D(12,13,14,8)          -0.7238         -DE/DX =    0.0                 !
 ! D78   D(12,13,14,67)       -179.897          -DE/DX =    0.0                 !
 ! D79   D(66,13,14,8)         177.931          -DE/DX =    0.0                 !
 ! D80   D(66,13,14,67)         -1.2421         -DE/DX =    0.0                 !
 ! D81   D(9,15,16,17)           0.3475         -DE/DX =    0.0                 !
 ! D82   D(9,15,16,19)        -179.878          -DE/DX =    0.0                 !
 ! D83   D(68,15,16,17)       -178.7529         -DE/DX =    0.0                 !
 ! D84   D(68,15,16,19)          1.0217         -DE/DX =    0.0                 !
 ! D85   D(96,15,16,17)       -178.4306         -DE/DX =    0.0                 !
 ! D86   D(96,15,16,19)          1.3439         -DE/DX =    0.0                 !
 ! D87   D(15,16,17,18)         -0.0885         -DE/DX =    0.0                 !
 ! D88   D(15,16,17,22)       -179.1318         -DE/DX =    0.0                 !
 ! D89   D(19,16,17,18)       -179.8661         -DE/DX =    0.0                 !
 ! D90   D(19,16,17,22)          1.0906         -DE/DX =    0.0                 !
 ! D91   D(15,16,19,20)       -179.9181         -DE/DX =    0.0                 !
 ! D92   D(15,16,19,69)         -1.1489         -DE/DX =    0.0                 !
 ! D93   D(17,16,19,20)         -0.1482         -DE/DX =    0.0                 !
 ! D94   D(17,16,19,69)        178.621          -DE/DX =    0.0                 !
 ! D95   D(16,17,18,10)         -0.0471         -DE/DX =    0.0                 !
 ! D96   D(22,17,18,10)        178.9938         -DE/DX =    0.0                 !
 ! D97   D(16,17,22,21)         -1.1058         -DE/DX =    0.0                 !
 ! D98   D(16,17,22,71)        177.845          -DE/DX =    0.0                 !
 ! D99   D(18,17,22,21)        179.8399         -DE/DX =    0.0                 !
 ! D100  D(18,17,22,71)         -1.2093         -DE/DX =    0.0                 !
 ! D101  D(16,19,20,21)         -0.7863         -DE/DX =    0.0                 !
 ! D102  D(16,19,20,70)        177.8479         -DE/DX =    0.0                 !
 ! D103  D(69,19,20,21)       -179.5098         -DE/DX =    0.0                 !
 ! D104  D(69,19,20,70)         -0.8755         -DE/DX =    0.0                 !
 ! D105  D(19,20,21,22)          0.7749         -DE/DX =    0.0                 !
 ! D106  D(19,20,21,25)        179.6867         -DE/DX =    0.0                 !
 ! D107  D(70,20,21,22)       -177.8721         -DE/DX =    0.0                 !
 ! D108  D(70,20,21,25)          1.0397         -DE/DX =    0.0                 !
 ! D109  D(20,21,22,17)          0.1986         -DE/DX =    0.0                 !
 ! D110  D(20,21,22,71)       -178.7142         -DE/DX =    0.0                 !
 ! D111  D(25,21,22,17)       -178.6941         -DE/DX =    0.0                 !
 ! D112  D(25,21,22,71)          2.3931         -DE/DX =    0.0                 !
 ! D113  D(20,21,25,34)       -130.8667         -DE/DX =    0.0                 !
 ! D114  D(20,21,25,37)         48.7955         -DE/DX =    0.0                 !
 ! D115  D(22,21,25,34)         48.0315         -DE/DX =    0.0                 !
 ! D116  D(22,21,25,37)       -132.3064         -DE/DX =    0.0                 !
 ! D117  D(1,23,30,31)        -179.7826         -DE/DX =    0.0                 !
 ! D118  D(1,23,30,50)           2.7524         -DE/DX =    0.0                 !
 ! D119  D(33,23,30,31)         -0.0536         -DE/DX =    0.0                 !
 ! D120  D(33,23,30,50)       -177.5185         -DE/DX =    0.0                 !
 ! D121  D(1,23,33,32)         179.6456         -DE/DX =    0.0                 !
 ! D122  D(1,23,33,49)           2.1349         -DE/DX =    0.0                 !
 ! D123  D(30,23,33,32)         -0.0825         -DE/DX =    0.0                 !
 ! D124  D(30,23,33,49)       -177.5933         -DE/DX =    0.0                 !
 ! D125  D(12,24,26,27)        179.3287         -DE/DX =    0.0                 !
 ! D126  D(12,24,26,42)          2.2178         -DE/DX =    0.0                 !
 ! D127  D(29,24,26,27)         -0.1751         -DE/DX =    0.0                 !
 ! D128  D(29,24,26,42)       -177.286          -DE/DX =    0.0                 !
 ! D129  D(12,24,29,28)       -179.5104         -DE/DX =    0.0                 !
 ! D130  D(12,24,29,41)          3.5311         -DE/DX =    0.0                 !
 ! D131  D(26,24,29,28)         -0.0087         -DE/DX =    0.0                 !
 ! D132  D(26,24,29,41)       -176.9671         -DE/DX =    0.0                 !
 ! D133  D(21,25,34,35)        179.2604         -DE/DX =    0.0                 !
 ! D134  D(21,25,34,58)          2.001          -DE/DX =    0.0                 !
 ! D135  D(37,25,34,35)         -0.4505         -DE/DX =    0.0                 !
 ! D136  D(37,25,34,58)       -177.7099         -DE/DX =    0.0                 !
 ! D137  D(21,25,37,36)       -179.4224         -DE/DX =    0.0                 !
 ! D138  D(21,25,37,57)          3.381          -DE/DX =    0.0                 !
 ! D139  D(34,25,37,36)          0.2899         -DE/DX =    0.0                 !
 ! D140  D(34,25,37,57)       -176.9066         -DE/DX =    0.0                 !
 ! D141  D(24,26,27,28)          0.2853         -DE/DX =    0.0                 !
 ! D142  D(24,26,27,45)       -178.8974         -DE/DX =    0.0                 !
 ! D143  D(42,26,27,28)        177.6771         -DE/DX =    0.0                 !
 ! D144  D(42,26,27,45)         -1.5056         -DE/DX =    0.0                 !
 ! D145  D(24,26,42,43)        178.3203         -DE/DX =    0.0                 !
 ! D146  D(24,26,42,76)         -1.3129         -DE/DX =    0.0                 !
 ! D147  D(27,26,42,43)          1.528          -DE/DX =    0.0                 !
 ! D148  D(27,26,42,76)       -178.1052         -DE/DX =    0.0                 !
 ! D149  D(26,27,28,29)         -0.2865         -DE/DX =    0.0                 !
 ! D150  D(26,27,28,38)        178.5989         -DE/DX =    0.0                 !
 ! D151  D(45,27,28,29)        178.7387         -DE/DX =    0.0                 !
 ! D152  D(45,27,28,38)         -2.3759         -DE/DX =    0.0                 !
 ! D153  D(26,27,45,44)          0.4147         -DE/DX =    0.0                 !
 ! D154  D(26,27,45,79)       -179.9366         -DE/DX =    0.0                 !
 ! D155  D(28,27,45,44)       -178.5129         -DE/DX =    0.0                 !
 ! D156  D(28,27,45,79)          1.1359         -DE/DX =    0.0                 !
 ! D157  D(27,28,29,24)          0.1832         -DE/DX =    0.0                 !
 ! D158  D(27,28,29,41)        177.4418         -DE/DX =    0.0                 !
 ! D159  D(38,28,29,24)       -178.8825         -DE/DX =    0.0                 !
 ! D160  D(38,28,29,41)         -1.6239         -DE/DX =    0.0                 !
 ! D161  D(27,28,38,39)       -178.3174         -DE/DX =    0.0                 !
 ! D162  D(27,28,38,72)          1.2301         -DE/DX =    0.0                 !
 ! D163  D(29,28,38,39)          0.4563         -DE/DX =    0.0                 !
 ! D164  D(29,28,38,72)       -179.9962         -DE/DX =    0.0                 !
 ! D165  D(24,29,41,40)        178.2228         -DE/DX =    0.0                 !
 ! D166  D(24,29,41,75)         -0.9057         -DE/DX =    0.0                 !
 ! D167  D(28,29,41,40)          1.5967         -DE/DX =    0.0                 !
 ! D168  D(28,29,41,75)       -177.5317         -DE/DX =    0.0                 !
 ! D169  D(23,30,31,32)          0.1646         -DE/DX =    0.0                 !
 ! D170  D(23,30,31,53)       -179.069          -DE/DX =    0.0                 !
 ! D171  D(50,30,31,32)        177.8725         -DE/DX =    0.0                 !
 ! D172  D(50,30,31,53)         -1.3611         -DE/DX =    0.0                 !
 ! D173  D(23,30,50,51)        178.5404         -DE/DX =    0.0                 !
 ! D174  D(23,30,50,84)         -0.9011         -DE/DX =    0.0                 !
 ! D175  D(31,30,50,51)          1.355          -DE/DX =    0.0                 !
 ! D176  D(31,30,50,84)       -178.0865         -DE/DX =    0.0                 !
 ! D177  D(30,31,32,33)         -0.2118         -DE/DX =    0.0                 !
 ! D178  D(30,31,32,46)        178.9025         -DE/DX =    0.0                 !
 ! D179  D(53,31,32,33)        178.871          -DE/DX =    0.0                 !
 ! D180  D(53,31,32,46)         -2.0147         -DE/DX =    0.0                 !
 ! D181  D(30,31,53,52)          0.3894         -DE/DX =    0.0                 !
 ! D182  D(30,31,53,87)       -179.9761         -DE/DX =    0.0                 !
 ! D183  D(32,31,53,52)       -178.6018         -DE/DX =    0.0                 !
 ! D184  D(32,31,53,87)          1.0326         -DE/DX =    0.0                 !
 ! D185  D(31,32,33,23)          0.1823         -DE/DX =    0.0                 !
 ! D186  D(31,32,33,49)        177.9338         -DE/DX =    0.0                 !
 ! D187  D(46,32,33,23)       -179.0773         -DE/DX =    0.0                 !
 ! D188  D(46,32,33,49)         -1.3258         -DE/DX =    0.0                 !
 ! D189  D(31,32,46,47)       -178.6313         -DE/DX =    0.0                 !
 ! D190  D(31,32,46,80)          1.027          -DE/DX =    0.0                 !
 ! D191  D(33,32,46,47)          0.3946         -DE/DX =    0.0                 !
 ! D192  D(33,32,46,80)       -179.9471         -DE/DX =    0.0                 !
 ! D193  D(23,33,49,48)        178.5191         -DE/DX =    0.0                 !
 ! D194  D(23,33,49,83)         -0.8817         -DE/DX =    0.0                 !
 ! D195  D(32,33,49,48)          1.2827         -DE/DX =    0.0                 !
 ! D196  D(32,33,49,83)       -178.1182         -DE/DX =    0.0                 !
 ! D197  D(25,34,35,36)          0.4316         -DE/DX =    0.0                 !
 ! D198  D(25,34,35,61)       -178.8028         -DE/DX =    0.0                 !
 ! D199  D(58,34,35,36)        177.9588         -DE/DX =    0.0                 !
 ! D200  D(58,34,35,61)         -1.2756         -DE/DX =    0.0                 !
 ! D201  D(25,34,58,59)        178.1322         -DE/DX =    0.0                 !
 ! D202  D(25,34,58,92)         -1.2953         -DE/DX =    0.0                 !
 ! D203  D(35,34,58,59)          1.1758         -DE/DX =    0.0                 !
 ! D204  D(35,34,58,92)       -178.2518         -DE/DX =    0.0                 !
 ! D205  D(34,35,36,37)         -0.2506         -DE/DX =    0.0                 !
 ! D206  D(34,35,36,54)        178.6872         -DE/DX =    0.0                 !
 ! D207  D(61,35,36,37)        178.8356         -DE/DX =    0.0                 !
 ! D208  D(61,35,36,54)         -2.2266         -DE/DX =    0.0                 !
 ! D209  D(34,35,61,60)          0.4069         -DE/DX =    0.0                 !
 ! D210  D(34,35,61,95)       -179.9869         -DE/DX =    0.0                 !
 ! D211  D(36,35,61,60)       -178.5882         -DE/DX =    0.0                 !
 ! D212  D(36,35,61,95)          1.0181         -DE/DX =    0.0                 !
 ! D213  D(35,36,37,25)         -0.022          -DE/DX =    0.0                 !
 ! D214  D(35,36,37,57)        177.4439         -DE/DX =    0.0                 !
 ! D215  D(54,36,37,25)       -179.1331         -DE/DX =    0.0                 !
 ! D216  D(54,36,37,57)         -1.6671         -DE/DX =    0.0                 !
 ! D217  D(35,36,54,55)       -178.4061         -DE/DX =    0.0                 !
 ! D218  D(35,36,54,88)          1.1961         -DE/DX =    0.0                 !
 ! D219  D(37,36,54,55)          0.4256         -DE/DX =    0.0                 !
 ! D220  D(37,36,54,88)       -179.9722         -DE/DX =    0.0                 !
 ! D221  D(25,37,57,56)        178.6338         -DE/DX =    0.0                 !
 ! D222  D(25,37,57,91)         -0.6963         -DE/DX =    0.0                 !
 ! D223  D(36,37,57,56)          1.7474         -DE/DX =    0.0                 !
 ! D224  D(36,37,57,91)       -177.5827         -DE/DX =    0.0                 !
 ! D225  D(28,38,39,40)          0.6657         -DE/DX =    0.0                 !
 ! D226  D(28,38,39,73)       -179.8753         -DE/DX =    0.0                 !
 ! D227  D(72,38,39,40)       -178.8808         -DE/DX =    0.0                 !
 ! D228  D(72,38,39,73)          0.5782         -DE/DX =    0.0                 !
 ! D229  D(38,39,40,41)         -0.6787         -DE/DX =    0.0                 !
 ! D230  D(38,39,40,74)        179.0366         -DE/DX =    0.0                 !
 ! D231  D(73,39,40,41)        179.8608         -DE/DX =    0.0                 !
 ! D232  D(73,39,40,74)         -0.4238         -DE/DX =    0.0                 !
 ! D233  D(39,40,41,29)         -0.4525         -DE/DX =    0.0                 !
 ! D234  D(39,40,41,75)        178.6852         -DE/DX =    0.0                 !
 ! D235  D(74,40,41,29)        179.8307         -DE/DX =    0.0                 !
 ! D236  D(74,40,41,75)         -1.0316         -DE/DX =    0.0                 !
 ! D237  D(26,42,43,44)         -0.5099         -DE/DX =    0.0                 !
 ! D238  D(26,42,43,77)        179.6281         -DE/DX =    0.0                 !
 ! D239  D(76,42,43,44)        179.1279         -DE/DX =    0.0                 !
 ! D240  D(76,42,43,77)         -0.7342         -DE/DX =    0.0                 !
 ! D241  D(42,43,44,45)         -0.5429         -DE/DX =    0.0                 !
 ! D242  D(42,43,44,78)        179.8381         -DE/DX =    0.0                 !
 ! D243  D(77,43,44,45)        179.3183         -DE/DX =    0.0                 !
 ! D244  D(77,43,44,78)         -0.3006         -DE/DX =    0.0                 !
 ! D245  D(43,44,45,27)          0.5825         -DE/DX =    0.0                 !
 ! D246  D(43,44,45,79)       -179.0654         -DE/DX =    0.0                 !
 ! D247  D(78,44,45,27)       -179.7996         -DE/DX =    0.0                 !
 ! D248  D(78,44,45,79)          0.5525         -DE/DX =    0.0                 !
 ! D249  D(32,46,47,48)          0.5187         -DE/DX =    0.0                 !
 ! D250  D(32,46,47,81)       -179.8506         -DE/DX =    0.0                 !
 ! D251  D(80,46,47,48)       -179.1389         -DE/DX =    0.0                 !
 ! D252  D(80,46,47,81)          0.4918         -DE/DX =    0.0                 !
 ! D253  D(46,47,48,49)         -0.551          -DE/DX =    0.0                 !
 ! D254  D(46,47,48,82)        179.2794         -DE/DX =    0.0                 !
 ! D255  D(81,47,48,49)        179.8173         -DE/DX =    0.0                 !
 ! D256  D(81,47,48,82)         -0.3523         -DE/DX =    0.0                 !
 ! D257  D(47,48,49,33)         -0.3493         -DE/DX =    0.0                 !
 ! D258  D(47,48,49,83)        179.0567         -DE/DX =    0.0                 !
 ! D259  D(82,48,49,33)        179.8195         -DE/DX =    0.0                 !
 ! D260  D(82,48,49,83)         -0.7745         -DE/DX =    0.0                 !
 ! D261  D(30,50,51,52)         -0.4204         -DE/DX =    0.0                 !
 ! D262  D(30,50,51,85)        179.8452         -DE/DX =    0.0                 !
 ! D263  D(84,50,51,52)        179.0259         -DE/DX =    0.0                 !
 ! D264  D(84,50,51,85)         -0.7086         -DE/DX =    0.0                 !
 ! D265  D(50,51,52,53)         -0.5177         -DE/DX =    0.0                 !
 ! D266  D(50,51,52,86)        179.9064         -DE/DX =    0.0                 !
 ! D267  D(85,51,52,53)        179.2155         -DE/DX =    0.0                 !
 ! D268  D(85,51,52,86)         -0.3604         -DE/DX =    0.0                 !
 ! D269  D(51,52,53,31)          0.5248         -DE/DX =    0.0                 !
 ! D270  D(51,52,53,87)       -179.1089         -DE/DX =    0.0                 !
 ! D271  D(86,52,53,31)       -179.9004         -DE/DX =    0.0                 !
 ! D272  D(86,52,53,87)          0.4659         -DE/DX =    0.0                 !
 ! D273  D(36,54,55,56)          0.6559         -DE/DX =    0.0                 !
 ! D274  D(36,54,55,89)       -179.8788         -DE/DX =    0.0                 !
 ! D275  D(88,54,55,56)       -178.9455         -DE/DX =    0.0                 !
 ! D276  D(88,54,55,89)          0.5198         -DE/DX =    0.0                 !
 ! D277  D(54,55,56,57)         -0.5548         -DE/DX =    0.0                 !
 ! D278  D(54,55,56,90)        179.0863         -DE/DX =    0.0                 !
 ! D279  D(89,55,56,57)        179.9785         -DE/DX =    0.0                 !
 ! D280  D(89,55,56,90)         -0.3803         -DE/DX =    0.0                 !
 ! D281  D(55,56,57,37)         -0.6421         -DE/DX =    0.0                 !
 ! D282  D(55,56,57,91)        178.6964         -DE/DX =    0.0                 !
 ! D283  D(90,56,57,37)        179.7148         -DE/DX =    0.0                 !
 ! D284  D(90,56,57,91)         -0.9467         -DE/DX =    0.0                 !
 ! D285  D(34,58,59,60)         -0.2455         -DE/DX =    0.0                 !
 ! D286  D(34,58,59,93)        179.8949         -DE/DX =    0.0                 !
 ! D287  D(92,58,59,60)        179.1878         -DE/DX =    0.0                 !
 ! D288  D(92,58,59,93)         -0.6718         -DE/DX =    0.0                 !
 ! D289  D(58,59,60,61)         -0.5957         -DE/DX =    0.0                 !
 ! D290  D(58,59,60,94)        179.7881         -DE/DX =    0.0                 !
 ! D291  D(93,59,60,61)        179.2632         -DE/DX =    0.0                 !
 ! D292  D(93,59,60,94)         -0.353          -DE/DX =    0.0                 !
 ! D293  D(59,60,61,35)          0.5037         -DE/DX =    0.0                 !
 ! D294  D(59,60,61,95)       -179.1017         -DE/DX =    0.0                 !
 ! D295  D(94,60,61,35)       -179.8811         -DE/DX =    0.0                 !
 ! D296  D(94,60,61,95)          0.5135         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad


 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.305374D+01      0.776183D+01      0.258907D+02
   x         -0.111784D+01     -0.284127D+01     -0.947744D+01
   y          0.283811D+01      0.721376D+01      0.240625D+02
   z          0.144516D+00      0.367323D+00      0.122526D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.837946D+03      0.124171D+03      0.138159D+03
   aniso      0.748292D+03      0.110885D+03      0.123377D+03
   xx         0.127051D+04      0.188270D+03      0.209479D+03
   yx         0.131112D+03      0.194288D+02      0.216175D+02
   yy         0.787583D+03      0.116708D+03      0.129855D+03
   zx        -0.822032D+01     -0.121813D+01     -0.135535D+01
   zy        -0.390785D+02     -0.579084D+01     -0.644317D+01
   zz         0.455747D+03      0.675347D+02      0.751425D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -5.22250648         -1.30937476          8.02419474
     6         -6.08686845         -1.53905836          5.54813657
     6         -4.51299187         -1.01161319          3.47151294
     6         -2.02037858         -0.17810036          3.95646840
     6         -1.16931662          0.06518583          6.46571311
     6         -2.72765026         -0.50437556          8.47997693
     6         -5.39833198         -1.25735813          0.84530372
     6         -3.77066585         -0.65254227         -1.21710590
     6         -1.21203735          0.18646799         -0.70086832
     6         -0.32529831          0.43146769          1.86867639
     6         -7.84544044         -2.12048830          0.30636170
     6         -8.73013797         -2.34566792         -2.16764960
     6         -7.12406929         -1.70696217         -4.18613564
     6         -4.69112648         -0.89160353         -3.71326245
     7          0.43328759          0.76045929         -2.55221930
     6          2.83487423          1.55839391         -2.06194429
     6          3.60559796          1.76909775          0.51283901
     7          1.99664923          1.19626668          2.41193501
     6          4.54196620          2.15967683         -4.03411299
     6          6.93752325          2.95034068         -3.42006847
     6          7.73121068          3.20843305         -0.85324101
     6          6.07511398          2.62564952          1.08054713
     7         -6.84156193         -1.88450895         10.06788906
     7        -11.20636907         -3.20626180         -2.62923425
     7         10.21499968          4.01503046         -0.33402582
     6        -11.89681972         -5.08004007         -4.38654773
     6        -14.54687781         -5.43408873         -4.27284212
     6        -15.50923630         -3.70194601         -2.38372460
     6        -13.40935135         -2.36215893         -1.40377196
     6         -7.28902574         -0.33277266         12.17418601
     6         -9.01274611         -1.56840539         13.80851125
     6         -9.63132911         -3.97068431         12.65108593
     6         -8.26886833         -4.10565594         10.35000466
     6         11.91575169          2.85851963          1.35109686
     6         14.22138098          4.21766615          1.31489041
     6         13.90549295          6.29120266         -0.44503585
     6         11.42222981          6.11541530         -1.42705780
     6        -17.93785183         -3.16352202         -1.48960895
     6        -18.24524638         -1.30035667          0.34106099
     6        -16.15032062          0.04214503          1.26170887
     6        -13.71182812         -0.45870978          0.40139715
     6        -10.37701898         -6.54192512         -5.97555258
     6        -11.56463465         -8.33032373         -7.50099637
     6        -14.19459890         -8.67693039         -7.43922310
     6        -15.69323296         -7.24374790         -5.82202942
     6        -11.17434651         -5.99195479         13.37595379
     6        -11.32695176         -8.10809548         11.82233612
     6         -9.93607382         -8.22713951          9.56514966
     6         -8.38661719         -6.24010922          8.79999706
     6         -6.37523130          2.08707374         12.70549920
     6         -7.17433318          3.23632924         14.93611759
     6         -8.85381406          2.02247501         16.59436089
     6         -9.78621124         -0.37236459         16.03622762
     6         15.48251505          8.26410720         -1.22522242
     6         14.56707881         10.03035631         -2.94565203
     6         12.08585745          9.85378398         -3.86878581
     6         10.47579589          7.90929158         -3.11784039
     6         11.62170459          0.68061117          2.81339753
     6         13.66513826         -0.09451763          4.28323964
     6         15.95118520          1.25223534          4.29621338
     6         16.24348389          3.40192168          2.80970457
     1         -8.03296841         -2.09929799          5.27163668
     1          0.75676791          0.68333886          6.77852434
     1         -2.03993883         -0.36858132         10.40481763
     1         -9.09756479         -2.68826441          1.81746000
     1         -7.80386983         -1.81315198         -6.11482275
     1         -3.50276043         -0.41050777         -5.31943745
     1         -0.00313573          0.60883063         -4.61811375
     1          3.92222662          1.94255390         -5.97875754
     1          8.28433813          3.35319125         -4.91020327
     1          6.59888699          2.83556637          3.04774285
     1        -19.56193071         -4.17875068         -2.22702614
     1        -20.11942240         -0.86724809          1.05327764
     1        -16.42782428          1.50998294          2.66827697
     1        -12.11772797          0.62076895          1.10038807
     1         -8.34227682         -6.31651985         -6.02672633
     1        -10.42166397         -9.47937627         -8.75900561
     1        -15.06016654        -10.08330089         -8.65593210
     1        -17.72424598         -7.53085937         -5.75281586
     1        -12.22980146         -5.91146624         15.13436970
     1        -12.52070698         -9.68673961         12.36098584
     1        -10.06146101         -9.90274352          8.38754763
     1         -7.30057154         -6.36760019          7.06765425
     1         -5.10147576          3.05608479         11.42668936
     1         -6.48534828          5.11481262         15.39128526
     1         -9.43690508          2.96913502         18.31813366
     1        -11.10609266         -1.29896144         17.30577890
     1         17.39112139          8.41967619         -0.48699420
     1         15.77264198         11.56821256         -3.56917106
     1         11.39434523         11.26441431         -5.18835359
     1          8.55231556          7.82174741         -3.81713379
     1          9.87673341         -0.39150968          2.80307463
     1         13.47809042         -1.78053235          5.43756531
     1         17.50426892          0.60143824          5.46742207
     1         18.02065531          4.42832129          2.79843086
    17         -0.13983235          0.52135269         -8.03836878

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.305374D+01      0.776183D+01      0.258907D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.305374D+01      0.776183D+01      0.258907D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.837946D+03      0.124171D+03      0.138159D+03
   aniso      0.748292D+03      0.110885D+03      0.123377D+03
   xx         0.117012D+04      0.173393D+03      0.192926D+03
   yx         0.298545D+03      0.442397D+02      0.492233D+02
   yy         0.584536D+03      0.866194D+02      0.963770D+02
   zx        -0.823693D+02     -0.122059D+02     -0.135809D+02
   zy         0.188493D+02      0.279317D+01      0.310783D+01
   zz         0.759187D+03      0.112500D+03      0.125173D+03

 ----------------------------------------------------------------------
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 THE TRULY SUCCESSFUL PERFORMANCE OF RESEARCHES IN
 INORGANIC CHEMISTRY IS POSSIBLE ONLY TO ONE WHO IS NOT
 ONLY A THEORETICAL CHEMIST, BUT ALSO AN ACCOMPLISHED
 ANALYST AND, MOREOVER, NOT MERELY A PRACTICALLY TRAINED,
 MECHANICAL WORKER, BUT A THINKING CREATIVE ARTIST.
   --  CLEMENS WINKLER, BER. 33, 1697(1900)
 Job cpu time:       0 days 20 hours 41 minutes 50.1 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 29.3 seconds.
 File lengths (MBytes):  RWF=  11232 Int=      0 D2E=      0 Chk=    102 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 10:43:41 2022.
